NPASS Natural Product

Natural Product: NPC137009

Natural Product ID:	NPC137009
Common Name:	4-Hydroxy Tremetone
IUPAC Name:	1-[(2R)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
Synonyms:
Molecular Formula:	C13H14O3
Standard InCHIKey:	NGFZSKZFASBMBR-GFCCVEGCSA-N
Standard InCHI:	InChI=1S/C13H14O3/c1-7(2)12-6-10-11(16-12)5-4-9(8(3)14)13(10)15/h4-5,12,15H,1,6H2,2-3H3/t12-/m1/s1
Canonical SMILES:	CC(=C)[C@@H]1Oc2c(C1)c(O)c(cc2)C(=O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO32889	baccharis sp.	Species	Asteraceae	Eukaryota				PMID[11929285]

Biological Activity

Activity Type	# Activity
GI50	4
IC50	15
Others	3

Activity Type	# Activity
Organism	21
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT364	Organism	Lactuca sativa	Lactuca sativa	GI50	=	21000	nM	DrugMatrix in vivo data: Pathology
NPT594	Organism	Trifolium pratense	Trifolium pratense	IC50	=	46300	nM	11170665
NPT594	Organism	Trifolium pratense	Trifolium pratense	GI50	=	17800	nM	12828470
NPT355	Organism	Phaseolus vulgaris	Phaseolus vulgaris	IC50	=	45000	nM	8254344
NPT596	Organism	Lolium multiflorum	Lolium multiflorum	IC50	=	22300	nM	12762807
NPT596	Organism	Lolium multiflorum	Lolium multiflorum	IC50	=	26200	nM	23806110
NPT595	Organism	Physalis ixocarpa	Physalis ixocarpa	IC50	=	15200	nM	20621474
NPT595	Organism	Physalis ixocarpa	Physalis ixocarpa	IC50	=	12700	nM	PubChem BioAssay data set
NPT594	Organism	Trifolium pratense	Trifolium pratense	IC50	=	22000	nM	12828464
NPT594	Organism	Trifolium pratense	Trifolium pratense	IC50	=	47600	nM	21852132
NPT364	Organism	Lactuca sativa	Lactuca sativa	IC50	=	16700	nM	21930377
NPT595	Organism	Physalis ixocarpa	Physalis ixocarpa	Inhibition	=	100	%	11473413
NPT1	Others	Radical scavenging activity		IC50	=	53200	nM	17190469
NPT595	Organism	Physalis ixocarpa	Physalis ixocarpa	IC50	=	28700	nM	20405844
NPT594	Organism	Trifolium pratense	Trifolium pratense	Inhibition	=	100	%	24215398
NPT364	Organism	Lactuca sativa	Lactuca sativa	IC50	=	19000	nM	23398362
NPT596	Organism	Lolium multiflorum	Lolium multiflorum	Inhibition	=	100	%	17665952
NPT596	Organism	Lolium multiflorum	Lolium multiflorum	IC50	=	39000	nM	20408555
NPT597	Organism	Spinacia oleracea	Spinacia oleracea	IC50	=	20400	nM	19919064
NPT595	Organism	Physalis ixocarpa	Physalis ixocarpa	GI50	=	16600	nM	19615900
NPT596	Organism	Lolium multiflorum	Lolium multiflorum	GI50	=	25500	nM	Open TG-GATES in vivo data: Hematology
NPT364	Organism	Lactuca sativa	Lactuca sativa	IC50	=	27000	nM	22624550

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC137009 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	234
0.1-0.2	1169
0.2-0.3	2552
0.3-0.4	6057
0.4-0.5	7110
0.5-0.6	2573
0.6-0.7	4523
0.7-0.8	4012
0.8-0.85	1620
0.85-0.9	855
0.9-0.95	182
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9704	High Similarity	NPC37206
0.9562	High Similarity	NPC171870
0.9496	High Similarity	NPC470857
0.9433	High Similarity	NPC168085
0.9403	High Similarity	NPC247743
0.9366	High Similarity	NPC317492
0.9357	High Similarity	NPC297788
0.9301	High Similarity	NPC472421
0.9265	High Similarity	NPC84699
0.9265	High Similarity	NPC60667
0.9265	High Similarity	NPC151113
0.9236	High Similarity	NPC472423
0.9236	High Similarity	NPC474772
0.9236	High Similarity	NPC474744
0.9225	High Similarity	NPC202494
0.9214	High Similarity	NPC130206
0.9214	High Similarity	NPC162476
0.9209	High Similarity	NPC470856
0.9209	High Similarity	NPC28337
0.9197	High Similarity	NPC156910
0.9191	High Similarity	NPC164136
0.9191	High Similarity	NPC125920
0.9172	High Similarity	NPC31627
0.9172	High Similarity	NPC473996
0.9172	High Similarity	NPC476238
0.9172	High Similarity	NPC327269
0.9167	High Similarity	NPC321896
0.9167	High Similarity	NPC476185
0.9155	High Similarity	NPC51641
0.9155	High Similarity	NPC472629
0.9155	High Similarity	NPC300267
0.9149	High Similarity	NPC39329
0.9149	High Similarity	NPC68104
0.9149	High Similarity	NPC164980
0.9149	High Similarity	NPC257097
0.9149	High Similarity	NPC169591
0.9149	High Similarity	NPC175504
0.9149	High Similarity	NPC143896
0.9149	High Similarity	NPC149026
0.9149	High Similarity	NPC150408
0.9149	High Similarity	NPC225884
0.9149	High Similarity	NPC91560
0.9149	High Similarity	NPC310130
0.9149	High Similarity	NPC221432
0.9149	High Similarity	NPC75049
0.9143	High Similarity	NPC213322
0.9143	High Similarity	NPC321980
0.9143	High Similarity	NPC312391
0.9143	High Similarity	NPC470087
0.9143	High Similarity	NPC324386
0.9143	High Similarity	NPC4743
0.9143	High Similarity	NPC3188
0.9143	High Similarity	NPC74397
0.9143	High Similarity	NPC470089
0.9137	High Similarity	NPC139554
0.9137	High Similarity	NPC473076
0.9137	High Similarity	NPC23257
0.913	High Similarity	NPC476480
0.913	High Similarity	NPC84585
0.9118	High Similarity	NPC108113
0.9118	High Similarity	NPC93756
0.9103	High Similarity	NPC472636
0.9103	High Similarity	NPC471675
0.9103	High Similarity	NPC318424
0.9103	High Similarity	NPC472580
0.9098	High Similarity	NPC186098
0.9098	High Similarity	NPC80694
0.9097	High Similarity	NPC226644
0.9097	High Similarity	NPC39929
0.9097	High Similarity	NPC296030
0.9097	High Similarity	NPC37226
0.9091	High Similarity	NPC130581
0.9091	High Similarity	NPC14875
0.9091	High Similarity	NPC12148
0.9085	High Similarity	NPC236766
0.9085	High Similarity	NPC87486
0.9085	High Similarity	NPC124780
0.9085	High Similarity	NPC473015
0.9085	High Similarity	NPC209040
0.9085	High Similarity	NPC224714
0.9085	High Similarity	NPC470890
0.9085	High Similarity	NPC473013
0.9085	High Similarity	NPC197252
0.9078	High Similarity	NPC296917
0.9078	High Similarity	NPC64915
0.9078	High Similarity	NPC324134
0.9078	High Similarity	NPC40833
0.9078	High Similarity	NPC166934
0.9078	High Similarity	NPC161506
0.9078	High Similarity	NPC148757
0.9078	High Similarity	NPC37496
0.9078	High Similarity	NPC167624
0.9078	High Similarity	NPC107572
0.9078	High Similarity	NPC1089
0.9078	High Similarity	NPC76338
0.9078	High Similarity	NPC220998
0.9078	High Similarity	NPC177354
0.9078	High Similarity	NPC53192
0.9078	High Similarity	NPC32739
0.9078	High Similarity	NPC265040
0.9078	High Similarity	NPC10937
0.9078	High Similarity	NPC227579
0.9078	High Similarity	NPC194432
0.9078	High Similarity	NPC324436
0.9078	High Similarity	NPC223500
0.9078	High Similarity	NPC66515
0.9078	High Similarity	NPC328164
0.9078	High Similarity	NPC76372
0.9078	High Similarity	NPC182852
0.9078	High Similarity	NPC228504
0.9078	High Similarity	NPC306829
0.9078	High Similarity	NPC78
0.9078	High Similarity	NPC166482
0.9078	High Similarity	NPC125855
0.9071	High Similarity	NPC471587
0.9065	High Similarity	NPC131130
0.9065	High Similarity	NPC147686
0.9065	High Similarity	NPC472460
0.9065	High Similarity	NPC329225
0.9065	High Similarity	NPC124269
0.9058	High Similarity	NPC187826
0.9058	High Similarity	NPC470397
0.9058	High Similarity	NPC222633
0.9058	High Similarity	NPC240593
0.9058	High Similarity	NPC174999
0.9058	High Similarity	NPC470398
0.9051	High Similarity	NPC236974
0.9051	High Similarity	NPC144027
0.9044	High Similarity	NPC203817
0.9041	High Similarity	NPC285623
0.9041	High Similarity	NPC477957
0.9034	High Similarity	NPC61258
0.903	High Similarity	NPC939
0.903	High Similarity	NPC230818
0.9028	High Similarity	NPC135325
0.9028	High Similarity	NPC39195
0.9021	High Similarity	NPC290133
0.9021	High Similarity	NPC187282
0.9021	High Similarity	NPC210826
0.9021	High Similarity	NPC24136
0.9014	High Similarity	NPC475705
0.9014	High Similarity	NPC18585
0.9014	High Similarity	NPC185276
0.9014	High Similarity	NPC117836
0.9014	High Similarity	NPC81697
0.9014	High Similarity	NPC214166
0.9014	High Similarity	NPC245482
0.9014	High Similarity	NPC85162
0.9014	High Similarity	NPC51887
0.9014	High Similarity	NPC316816
0.9014	High Similarity	NPC302181
0.9014	High Similarity	NPC476178
0.9014	High Similarity	NPC301751
0.9014	High Similarity	NPC278249
0.9014	High Similarity	NPC125894
0.9014	High Similarity	NPC106985
0.9014	High Similarity	NPC223812
0.9014	High Similarity	NPC77794
0.9014	High Similarity	NPC107177
0.9014	High Similarity	NPC166138
0.9014	High Similarity	NPC478086
0.9007	High Similarity	NPC96408
0.9007	High Similarity	NPC110969
0.9007	High Similarity	NPC156190
0.9007	High Similarity	NPC248372
0.9007	High Similarity	NPC17170
0.9007	High Similarity	NPC166689
0.9007	High Similarity	NPC469404
0.9007	High Similarity	NPC279650
0.9007	High Similarity	NPC258630
0.9007	High Similarity	NPC110038
0.9	High Similarity	NPC78913
0.9	High Similarity	NPC274784
0.9	High Similarity	NPC329203
0.9	High Similarity	NPC295384
0.9	High Similarity	NPC310135
0.9	High Similarity	NPC225153
0.9	High Similarity	NPC20709
0.9	High Similarity	NPC265871
0.9	High Similarity	NPC150648
0.9	High Similarity	NPC471697
0.9	High Similarity	NPC18260
0.9	High Similarity	NPC470211
0.9	High Similarity	NPC222342
0.8993	High Similarity	NPC12296
0.8993	High Similarity	NPC296490
0.8993	High Similarity	NPC79943
0.8993	High Similarity	NPC13768
0.8993	High Similarity	NPC32441
0.8993	High Similarity	NPC228661
0.8993	High Similarity	NPC243083
0.8993	High Similarity	NPC107586
0.8993	High Similarity	NPC287246
0.8993	High Similarity	NPC295261
0.8993	High Similarity	NPC188879
0.898	High Similarity	NPC213608
0.898	High Similarity	NPC122365
0.898	High Similarity	NPC1477
0.8978	High Similarity	NPC223457
0.8973	High Similarity	NPC290671

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC137009 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	898
0.2-0.3	1603
0.3-0.4	2517
0.4-0.5	2015
0.5-0.6	1179
0.6-0.7	493
0.7-0.8	140
0.8-0.85	35
0.85-0.9	18
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9065	High Similarity	NPD1549	Phase 2
0.8993	High Similarity	NPD1550	Clinical (unspecified phase)
0.8993	High Similarity	NPD1552	Clinical (unspecified phase)
0.8971	High Similarity	NPD1240	Approved
0.8951	High Similarity	NPD4378	Clinical (unspecified phase)
0.8849	High Similarity	NPD1510	Phase 2
0.8841	High Similarity	NPD1607	Approved
0.8786	High Similarity	NPD2796	Approved
0.8732	High Similarity	NPD2800	Approved
0.8725	High Similarity	NPD2393	Clinical (unspecified phase)
0.8649	High Similarity	NPD4380	Phase 2
0.8601	High Similarity	NPD1243	Approved
0.8571	High Similarity	NPD920	Approved
0.8562	High Similarity	NPD642	Clinical (unspecified phase)
0.8562	High Similarity	NPD7410	Clinical (unspecified phase)
0.8553	High Similarity	NPD7075	Discontinued
0.8552	High Similarity	NPD643	Clinical (unspecified phase)
0.8543	High Similarity	NPD8443	Clinical (unspecified phase)
0.8533	High Similarity	NPD1934	Approved
0.8477	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8467	Intermediate Similarity	NPD7411	Suspended
0.8435	Intermediate Similarity	NPD2532	Approved
0.8435	Intermediate Similarity	NPD2533	Approved
0.8435	Intermediate Similarity	NPD2534	Approved
0.8367	Intermediate Similarity	NPD1511	Approved
0.8366	Intermediate Similarity	NPD3882	Suspended
0.8355	Intermediate Similarity	NPD7819	Suspended
0.8312	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8289	Intermediate Similarity	NPD6801	Discontinued
0.8276	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8264	Intermediate Similarity	NPD1551	Phase 2
0.8255	Intermediate Similarity	NPD1512	Approved
0.8243	Intermediate Similarity	NPD6799	Approved
0.8207	Intermediate Similarity	NPD2344	Approved
0.8205	Intermediate Similarity	NPD5494	Approved
0.8153	Intermediate Similarity	NPD6959	Discontinued
0.8129	Intermediate Similarity	NPD7768	Phase 2
0.8125	Intermediate Similarity	NPD3818	Discontinued
0.8117	Intermediate Similarity	NPD2801	Approved
0.8113	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD3749	Approved
0.8075	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8056	Intermediate Similarity	NPD6651	Approved
0.8041	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8041	Intermediate Similarity	NPD3750	Approved
0.8039	Intermediate Similarity	NPD6599	Discontinued
0.8038	Intermediate Similarity	NPD1247	Approved
0.8037	Intermediate Similarity	NPD6559	Discontinued
0.8025	Intermediate Similarity	NPD919	Approved
0.8014	Intermediate Similarity	NPD2935	Discontinued
0.8	Intermediate Similarity	NPD6166	Phase 2
0.8	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD2309	Approved
0.7971	Intermediate Similarity	NPD9717	Approved
0.7914	Intermediate Similarity	NPD1729	Discontinued
0.7902	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7899	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7868	Intermediate Similarity	NPD9545	Approved
0.7866	Intermediate Similarity	NPD5953	Discontinued
0.7853	Intermediate Similarity	NPD7286	Phase 2
0.7834	Intermediate Similarity	NPD3817	Phase 2
0.7823	Intermediate Similarity	NPD2799	Discontinued
0.7805	Intermediate Similarity	NPD7074	Phase 3
0.7801	Intermediate Similarity	NPD1203	Approved
0.7785	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2313	Discontinued
0.777	Intermediate Similarity	NPD422	Phase 1
0.7744	Intermediate Similarity	NPD7054	Approved
0.774	Intermediate Similarity	NPD230	Phase 1
0.7733	Intermediate Similarity	NPD2654	Approved
0.7727	Intermediate Similarity	NPD5403	Approved
0.7721	Intermediate Similarity	NPD9493	Approved
0.7712	Intermediate Similarity	NPD5401	Approved
0.7703	Intermediate Similarity	NPD3748	Approved
0.7703	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD7472	Approved
0.7682	Intermediate Similarity	NPD4628	Phase 3
0.7671	Intermediate Similarity	NPD943	Approved
0.7654	Intermediate Similarity	NPD5710	Approved
0.7654	Intermediate Similarity	NPD6232	Discontinued
0.7654	Intermediate Similarity	NPD5711	Approved
0.7651	Intermediate Similarity	NPD6797	Phase 2
0.7643	Intermediate Similarity	NPD1610	Phase 2
0.7636	Intermediate Similarity	NPD5844	Phase 1
0.763	Intermediate Similarity	NPD1241	Discontinued
0.7628	Intermediate Similarity	NPD3226	Approved
0.7622	Intermediate Similarity	NPD7473	Discontinued
0.7622	Intermediate Similarity	NPD1019	Discontinued
0.7619	Intermediate Similarity	NPD447	Suspended
0.761	Intermediate Similarity	NPD5402	Approved
0.7609	Intermediate Similarity	NPD1548	Phase 1
0.7605	Intermediate Similarity	NPD7251	Discontinued
0.76	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD7808	Phase 3
0.7534	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD411	Approved
0.7533	Intermediate Similarity	NPD6100	Approved
0.7533	Intermediate Similarity	NPD6099	Approved
0.7517	Intermediate Similarity	NPD6832	Phase 2
0.75	Intermediate Similarity	NPD3926	Phase 2
0.7483	Intermediate Similarity	NPD6002	Phase 3
0.7483	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6005	Phase 3
0.7483	Intermediate Similarity	NPD2346	Discontinued
0.7483	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6004	Phase 3
0.7467	Intermediate Similarity	NPD7033	Discontinued
0.7467	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD4360	Phase 2
0.7429	Intermediate Similarity	NPD4363	Phase 3
0.7397	Intermediate Similarity	NPD4908	Phase 1
0.7391	Intermediate Similarity	NPD2296	Approved
0.7386	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD4361	Phase 2
0.7383	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD5124	Phase 1
0.7383	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD2798	Approved
0.7368	Intermediate Similarity	NPD1471	Phase 3
0.7343	Intermediate Similarity	NPD1608	Approved
0.7337	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1465	Phase 2
0.7329	Intermediate Similarity	NPD9494	Approved
0.732	Intermediate Similarity	NPD2424	Discontinued
0.7315	Intermediate Similarity	NPD1613	Approved
0.7315	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1164	Approved
0.7308	Intermediate Similarity	NPD7390	Discontinued
0.7297	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD1296	Phase 2
0.7278	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD2403	Approved
0.7237	Intermediate Similarity	NPD4308	Phase 3
0.7229	Intermediate Similarity	NPD7229	Phase 3
0.7222	Intermediate Similarity	NPD5760	Phase 2
0.7222	Intermediate Similarity	NPD3972	Approved
0.7222	Intermediate Similarity	NPD5761	Phase 2
0.7193	Intermediate Similarity	NPD6104	Discontinued
0.7193	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD2797	Approved
0.7183	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD3268	Approved
0.7181	Intermediate Similarity	NPD3764	Approved
0.7162	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6279	Approved
0.716	Intermediate Similarity	NPD6280	Approved
0.7153	Intermediate Similarity	NPD1201	Approved
0.7152	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD17	Approved
0.7133	Intermediate Similarity	NPD1778	Approved
0.7132	Intermediate Similarity	NPD74	Approved
0.7132	Intermediate Similarity	NPD9266	Approved
0.7123	Intermediate Similarity	NPD1876	Approved
0.7119	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD4625	Phase 3
0.7102	Intermediate Similarity	NPD4287	Approved
0.7095	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD2861	Phase 2
0.7086	Intermediate Similarity	NPD3140	Approved
0.7086	Intermediate Similarity	NPD8434	Phase 2
0.7086	Intermediate Similarity	NPD3142	Approved
0.7081	Intermediate Similarity	NPD7584	Approved
0.7081	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD7458	Discontinued
0.7075	Intermediate Similarity	NPD1470	Approved
0.7073	Intermediate Similarity	NPD4288	Approved
0.7067	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD9267	Approved
0.7059	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3751	Discontinued
0.7059	Intermediate Similarity	NPD9263	Approved
0.7059	Intermediate Similarity	NPD9264	Approved
0.7055	Intermediate Similarity	NPD4749	Approved
0.7051	Intermediate Similarity	NPD1652	Phase 2
0.7044	Intermediate Similarity	NPD4661	Approved
0.7044	Intermediate Similarity	NPD4662	Approved
0.7039	Intermediate Similarity	NPD1933	Approved
0.7039	Intermediate Similarity	NPD6355	Discontinued
0.7033	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD6808	Phase 2
0.7011	Intermediate Similarity	NPD8313	Approved
0.7011	Intermediate Similarity	NPD8312	Approved
0.7007	Intermediate Similarity	NPD3225	Approved
0.7006	Intermediate Similarity	NPD7003	Approved
0.7	Intermediate Similarity	NPD6273	Approved
0.7	Intermediate Similarity	NPD3027	Phase 3
0.6986	Remote Similarity	NPD1481	Phase 2
0.6986	Remote Similarity	NPD9269	Phase 2
0.6981	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4307	Phase 2
0.6972	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD4477	Approved

Structure

External Identifiers

PubChem CID	76334179
ChEMBL	CHEMBL2271142
ZINC

Physicochemical Properties

Molecular Weight:	218.09
ALogP:	0.2976
MLogP:	2.56
XLogP:	1.726
# Rotatable Bonds:	5
Polar Surface Area:	46.53
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	16

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