NPASS Natural Product

Natural Product: NPC471697

Natural Product ID:	NPC471697
Common Name:	9-Hydroxyeugenin
IUPAC Name:	5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one
Synonyms:
Molecular Formula:	C12H12O5
Standard InCHIKey:	XFEMHOWGRYGXDK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C12H12O5/c1-6-9(16-2)4-10-11(12(6)15)8(14)3-7(5-13)17-10/h3-4,13,15H,5H2,1-2H3
Canonical SMILES:	COc1cc2oc(CO)cc(=O)c2c(c1C)O
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
NPO501	Mycoleptodiscus indicus	Species	Magnaporthaceae	Eukaryota				PMID[24387625]

Biological Activity

Activity Type	# Activity
IC50	6

Activity Type	# Activity
Cell Line	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT306	Cell Line	PC-3	Homo sapiens	IC50	>	105000	nM	22574670
NPT2	Others	Unspecified		IC50	>	105000	nM	11473412
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	105000	nM	3397991
NPT399	Cell Line	SF-295	Homo sapiens	IC50	>	105000	nM	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		IC50	>	105000	nM	19651906
NPT400	Cell Line	MDA-MB-435	Homo sapiens	IC50	>	105000	nM	24195447

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 NPC471697 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	242
0.1-0.2	1105
0.2-0.3	2633
0.3-0.4	6200
0.4-0.5	7037
0.5-0.6	2616
0.6-0.7	4264
0.7-0.8	3736
0.8-0.85	1742
0.85-0.9	1018
0.9-0.95	285
0.95-1	11

Similarity Score	Similarity Level	Natural Product ID
0.9708	High Similarity	NPC242100
0.9708	High Similarity	NPC255133
0.9699	High Similarity	NPC60667
0.9638	High Similarity	NPC297788
0.9624	High Similarity	NPC125920
0.9559	High Similarity	NPC139554
0.9549	High Similarity	NPC108113
0.9549	High Similarity	NPC223457
0.9549	High Similarity	NPC93756
0.95	High Similarity	NPC202494
0.95	High Similarity	NPC85773
0.9481	High Similarity	NPC174999
0.9433	High Similarity	NPC10097
0.9416	High Similarity	NPC23257
0.9398	High Similarity	NPC475589
0.9398	High Similarity	NPC31872
0.9398	High Similarity	NPC473584
0.9366	High Similarity	NPC307052
0.9366	High Similarity	NPC139966
0.9362	High Similarity	NPC470670
0.9362	High Similarity	NPC473133
0.9362	High Similarity	NPC91902
0.9362	High Similarity	NPC47388
0.9348	High Similarity	NPC471587
0.9343	High Similarity	NPC131130
0.9338	High Similarity	NPC156910
0.9328	High Similarity	NPC25937
0.9323	High Similarity	NPC5515
0.9323	High Similarity	NPC270369
0.9291	High Similarity	NPC474302
0.9281	High Similarity	NPC171870
0.9275	High Similarity	NPC473076
0.9275	High Similarity	NPC78913
0.9275	High Similarity	NPC37206
0.9275	High Similarity	NPC18260
0.9265	High Similarity	NPC151113
0.9231	High Similarity	NPC472628
0.9225	High Similarity	NPC472627
0.922	High Similarity	NPC224714
0.9214	High Similarity	NPC162476
0.9209	High Similarity	NPC241100
0.9209	High Similarity	NPC159275
0.9203	High Similarity	NPC470669
0.9203	High Similarity	NPC470668
0.9203	High Similarity	NPC201395
0.9197	High Similarity	NPC470397
0.9191	High Similarity	NPC164136
0.9191	High Similarity	NPC144027
0.9191	High Similarity	NPC236974
0.9185	High Similarity	NPC203817
0.9185	High Similarity	NPC10971
0.9173	High Similarity	NPC230818
0.9172	High Similarity	NPC10807
0.9172	High Similarity	NPC150123
0.9172	High Similarity	NPC56232
0.9172	High Similarity	NPC244583
0.9172	High Similarity	NPC256141
0.9172	High Similarity	NPC161881
0.9172	High Similarity	NPC285623
0.9155	High Similarity	NPC470458
0.9149	High Similarity	NPC18886
0.9143	High Similarity	NPC213322
0.9143	High Similarity	NPC324386
0.9143	High Similarity	NPC150023
0.9143	High Similarity	NPC258630
0.9143	High Similarity	NPC312391
0.9143	High Similarity	NPC110969
0.9143	High Similarity	NPC156190
0.9143	High Similarity	NPC279650
0.9143	High Similarity	NPC17170
0.9143	High Similarity	NPC282300
0.9143	High Similarity	NPC166689
0.9143	High Similarity	NPC4743
0.9143	High Similarity	NPC96408
0.9143	High Similarity	NPC3188
0.9137	High Similarity	NPC217186
0.9137	High Similarity	NPC55018
0.9137	High Similarity	NPC301217
0.9137	High Similarity	NPC303633
0.9137	High Similarity	NPC53181
0.9137	High Similarity	NPC96565
0.9137	High Similarity	NPC216978
0.9137	High Similarity	NPC220062
0.913	High Similarity	NPC160972
0.9124	High Similarity	NPC101752
0.9124	High Similarity	NPC84699
0.911	High Similarity	NPC223701
0.911	High Similarity	NPC87304
0.911	High Similarity	NPC268950
0.911	High Similarity	NPC108706
0.911	High Similarity	NPC472583
0.911	High Similarity	NPC211158
0.911	High Similarity	NPC78021
0.911	High Similarity	NPC469405
0.911	High Similarity	NPC7989
0.9104	High Similarity	NPC84772
0.9103	High Similarity	NPC209846
0.9103	High Similarity	NPC471677
0.9103	High Similarity	NPC471676
0.9103	High Similarity	NPC474744
0.9103	High Similarity	NPC471675
0.9103	High Similarity	NPC472420
0.9103	High Similarity	NPC262038
0.9103	High Similarity	NPC474021
0.9103	High Similarity	NPC263384
0.9103	High Similarity	NPC278476
0.9103	High Similarity	NPC328740
0.9103	High Similarity	NPC319910
0.9103	High Similarity	NPC254412
0.9103	High Similarity	NPC289774
0.9103	High Similarity	NPC472422
0.9103	High Similarity	NPC474023
0.9103	High Similarity	NPC474772
0.9103	High Similarity	NPC262039
0.9103	High Similarity	NPC477897
0.9103	High Similarity	NPC244577
0.9103	High Similarity	NPC472423
0.9091	High Similarity	NPC176869
0.9091	High Similarity	NPC3779
0.9091	High Similarity	NPC476182
0.9091	High Similarity	NPC40086
0.9091	High Similarity	NPC122828
0.9091	High Similarity	NPC44721
0.9091	High Similarity	NPC211466
0.9085	High Similarity	NPC326506
0.9085	High Similarity	NPC319752
0.9085	High Similarity	NPC142731
0.9085	High Similarity	NPC208176
0.9085	High Similarity	NPC279417
0.9085	High Similarity	NPC306607
0.9085	High Similarity	NPC470890
0.9085	High Similarity	NPC49130
0.9085	High Similarity	NPC4152
0.9085	High Similarity	NPC62290
0.9078	High Similarity	NPC296917
0.9078	High Similarity	NPC64915
0.9078	High Similarity	NPC324134
0.9078	High Similarity	NPC10937
0.9078	High Similarity	NPC40833
0.9078	High Similarity	NPC166934
0.9078	High Similarity	NPC148757
0.9078	High Similarity	NPC37496
0.9078	High Similarity	NPC220998
0.9078	High Similarity	NPC167624
0.9078	High Similarity	NPC107572
0.9078	High Similarity	NPC1089
0.9078	High Similarity	NPC78
0.9078	High Similarity	NPC166482
0.9078	High Similarity	NPC76338
0.9078	High Similarity	NPC177354
0.9078	High Similarity	NPC11561
0.9078	High Similarity	NPC32739
0.9078	High Similarity	NPC265040
0.9078	High Similarity	NPC226636
0.9078	High Similarity	NPC227579
0.9078	High Similarity	NPC130206
0.9078	High Similarity	NPC324436
0.9078	High Similarity	NPC194432
0.9078	High Similarity	NPC223500
0.9078	High Similarity	NPC161506
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	NPC325346
0.9078	High Similarity	NPC125855
0.9071	High Similarity	NPC150522
0.9071	High Similarity	NPC261227
0.9071	High Similarity	NPC307990
0.9071	High Similarity	NPC16455
0.9071	High Similarity	NPC172986
0.9071	High Similarity	NPC270883
0.9065	High Similarity	NPC474487
0.9065	High Similarity	NPC474504
0.9065	High Similarity	NPC470672
0.9065	High Similarity	NPC124269
0.9065	High Similarity	NPC470671
0.9058	High Similarity	NPC47815
0.9058	High Similarity	NPC121243
0.9058	High Similarity	NPC29353
0.9058	High Similarity	NPC187826
0.9058	High Similarity	NPC234133
0.9058	High Similarity	NPC124784
0.9058	High Similarity	NPC231772
0.9058	High Similarity	NPC240147
0.9058	High Similarity	NPC473887
0.9058	High Similarity	NPC470398
0.9058	High Similarity	NPC127447
0.9058	High Similarity	NPC194281
0.9048	High Similarity	NPC304745
0.9048	High Similarity	NPC259710
0.9048	High Similarity	NPC207809
0.9048	High Similarity	NPC217706
0.9048	High Similarity	NPC304207
0.9048	High Similarity	NPC470681
0.9048	High Similarity	NPC87404
0.9048	High Similarity	NPC470603
0.9048	High Similarity	NPC470604

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471697 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	272
0.1-0.2	848
0.2-0.3	1741
0.3-0.4	2592
0.4-0.5	1897
0.5-0.6	1152
0.6-0.7	474
0.7-0.8	130
0.8-0.85	35
0.85-0.9	20
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8993	High Similarity	NPD1550	Clinical (unspecified phase)
0.8993	High Similarity	NPD1552	Clinical (unspecified phase)
0.8951	High Similarity	NPD4378	Clinical (unspecified phase)
0.8929	High Similarity	NPD1549	Phase 2
0.8904	High Similarity	NPD4380	Phase 2
0.8849	High Similarity	NPD1510	Phase 2
0.8832	High Similarity	NPD1240	Approved
0.8784	High Similarity	NPD6801	Discontinued
0.8725	High Similarity	NPD2393	Clinical (unspecified phase)
0.8705	High Similarity	NPD1607	Approved
0.869	High Similarity	NPD7410	Clinical (unspecified phase)
0.8675	High Similarity	NPD7075	Discontinued
0.8658	High Similarity	NPD1934	Approved
0.8621	High Similarity	NPD1511	Approved
0.8621	High Similarity	NPD6799	Approved
0.86	High Similarity	NPD7096	Clinical (unspecified phase)
0.8553	High Similarity	NPD4381	Clinical (unspecified phase)
0.8531	High Similarity	NPD970	Clinical (unspecified phase)
0.8521	High Similarity	NPD2796	Approved
0.8503	High Similarity	NPD1512	Approved
0.8477	Intermediate Similarity	NPD2801	Approved
0.8472	Intermediate Similarity	NPD2800	Approved
0.8467	Intermediate Similarity	NPD7411	Suspended
0.8421	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8418	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.84	Intermediate Similarity	NPD6599	Discontinued
0.8366	Intermediate Similarity	NPD3882	Suspended
0.8345	Intermediate Similarity	NPD1243	Approved
0.831	Intermediate Similarity	NPD6651	Approved
0.8235	Intermediate Similarity	NPD7819	Suspended
0.8228	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8228	Intermediate Similarity	NPD6166	Phase 2
0.8228	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD5403	Approved
0.82	Intermediate Similarity	NPD920	Approved
0.8188	Intermediate Similarity	NPD5401	Approved
0.8182	Intermediate Similarity	NPD3817	Phase 2
0.8176	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8138	Intermediate Similarity	NPD1551	Phase 2
0.8125	Intermediate Similarity	NPD3818	Discontinued
0.8095	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8075	Intermediate Similarity	NPD7054	Approved
0.8067	Intermediate Similarity	NPD2534	Approved
0.8067	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8067	Intermediate Similarity	NPD2532	Approved
0.8067	Intermediate Similarity	NPD2533	Approved
0.8041	Intermediate Similarity	NPD3750	Approved
0.8038	Intermediate Similarity	NPD6959	Discontinued
0.8028	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD7074	Phase 3
0.8025	Intermediate Similarity	NPD919	Approved
0.8025	Intermediate Similarity	NPD7472	Approved
0.8013	Intermediate Similarity	NPD7768	Phase 2
0.8	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD6797	Phase 2
0.7927	Intermediate Similarity	NPD6559	Discontinued
0.7927	Intermediate Similarity	NPD7251	Discontinued
0.7925	Intermediate Similarity	NPD1247	Approved
0.7919	Intermediate Similarity	NPD4628	Phase 3
0.7899	Intermediate Similarity	NPD422	Phase 1
0.7898	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD7808	Phase 3
0.7879	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7862	Intermediate Similarity	NPD5494	Approved
0.7842	Intermediate Similarity	NPD9717	Approved
0.7834	Intermediate Similarity	NPD5402	Approved
0.7801	Intermediate Similarity	NPD1203	Approved
0.7793	Intermediate Similarity	NPD943	Approved
0.7771	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.777	Intermediate Similarity	NPD2935	Discontinued
0.7764	Intermediate Similarity	NPD6232	Discontinued
0.7758	Intermediate Similarity	NPD5953	Discontinued
0.7744	Intermediate Similarity	NPD7286	Phase 2
0.774	Intermediate Similarity	NPD230	Phase 1
0.7737	Intermediate Similarity	NPD1548	Phase 1
0.7736	Intermediate Similarity	NPD3749	Approved
0.773	Intermediate Similarity	NPD7473	Discontinued
0.7718	Intermediate Similarity	NPD2344	Approved
0.7703	Intermediate Similarity	NPD3748	Approved
0.7703	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7703	Intermediate Similarity	NPD2799	Discontinued
0.7655	Intermediate Similarity	NPD2313	Discontinued
0.7644	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD5844	Phase 1
0.7619	Intermediate Similarity	NPD5124	Phase 1
0.7619	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD2654	Approved
0.7609	Intermediate Similarity	NPD9545	Approved
0.7584	Intermediate Similarity	NPD7033	Discontinued
0.7551	Intermediate Similarity	NPD1613	Approved
0.7551	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD1465	Phase 2
0.7545	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD1296	Phase 2
0.7533	Intermediate Similarity	NPD6100	Approved
0.7533	Intermediate Similarity	NPD6099	Approved
0.7518	Intermediate Similarity	NPD1610	Phase 2
0.7517	Intermediate Similarity	NPD6832	Phase 2
0.7516	Intermediate Similarity	NPD2309	Approved
0.75	Intermediate Similarity	NPD447	Suspended
0.75	Intermediate Similarity	NPD1241	Discontinued
0.75	Intermediate Similarity	NPD1652	Phase 2
0.7485	Intermediate Similarity	NPD1729	Discontinued
0.7464	Intermediate Similarity	NPD9493	Approved
0.7451	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD5710	Approved
0.7439	Intermediate Similarity	NPD5711	Approved
0.7434	Intermediate Similarity	NPD2424	Discontinued
0.7429	Intermediate Similarity	NPD4360	Phase 2
0.7429	Intermediate Similarity	NPD4363	Phase 3
0.7415	Intermediate Similarity	NPD3268	Approved
0.7405	Intermediate Similarity	NPD3226	Approved
0.7397	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD4908	Phase 1
0.7394	Intermediate Similarity	NPD3926	Phase 2
0.7386	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD4361	Phase 2
0.7379	Intermediate Similarity	NPD1019	Discontinued
0.7351	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD9494	Approved
0.731	Intermediate Similarity	NPD2797	Approved
0.7308	Intermediate Similarity	NPD7390	Discontinued
0.7297	Intermediate Similarity	NPD6798	Discontinued
0.7297	Intermediate Similarity	NPD411	Approved
0.7268	Intermediate Similarity	NPD7584	Approved
0.7267	Intermediate Similarity	NPD1933	Approved
0.7261	Intermediate Similarity	NPD4661	Approved
0.7261	Intermediate Similarity	NPD4662	Approved
0.726	Intermediate Similarity	NPD2798	Approved
0.7255	Intermediate Similarity	NPD2346	Discontinued
0.7246	Intermediate Similarity	NPD2403	Approved
0.7241	Intermediate Similarity	NPD3225	Approved
0.7237	Intermediate Similarity	NPD4308	Phase 3
0.723	Intermediate Similarity	NPD3027	Phase 3
0.7222	Intermediate Similarity	NPD1608	Approved
0.7216	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD6104	Discontinued
0.7192	Intermediate Similarity	NPD3267	Approved
0.7192	Intermediate Similarity	NPD3266	Approved
0.7188	Intermediate Similarity	NPD7458	Discontinued
0.7185	Intermediate Similarity	NPD290	Approved
0.7181	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD2354	Approved
0.717	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7199	Phase 2
0.7162	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD3751	Discontinued
0.7153	Intermediate Similarity	NPD1091	Approved
0.7152	Intermediate Similarity	NPD6355	Discontinued
0.7152	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD2684	Approved
0.7127	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD1653	Approved
0.7123	Intermediate Similarity	NPD8651	Approved
0.711	Intermediate Similarity	NPD8312	Approved
0.711	Intermediate Similarity	NPD8313	Approved
0.7107	Intermediate Similarity	NPD5049	Phase 3
0.7103	Intermediate Similarity	NPD3972	Approved
0.7086	Intermediate Similarity	NPD4060	Phase 1
0.7075	Intermediate Similarity	NPD1164	Approved
0.7073	Intermediate Similarity	NPD4288	Approved
0.7063	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD4749	Approved
0.705	Intermediate Similarity	NPD7843	Approved
0.7044	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD1201	Approved
0.7032	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD1471	Phase 3
0.7032	Intermediate Similarity	NPD6004	Phase 3
0.7032	Intermediate Similarity	NPD6005	Phase 3
0.7032	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD6002	Phase 3
0.7027	Intermediate Similarity	NPD5647	Approved
0.7024	Intermediate Similarity	NPD3787	Discontinued
0.702	Intermediate Similarity	NPD6233	Phase 2
0.7014	Intermediate Similarity	NPD17	Approved
0.7012	Intermediate Similarity	NPD8455	Phase 2
0.7	Intermediate Similarity	NPD4625	Phase 3
0.6994	Remote Similarity	NPD5889	Approved
0.6994	Remote Similarity	NPD5890	Approved
0.6989	Remote Similarity	NPD8434	Phase 2
0.6986	Remote Similarity	NPD1481	Phase 2
0.6986	Remote Similarity	NPD9269	Phase 2
0.6982	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD3142	Approved
0.6974	Remote Similarity	NPD3140	Approved
0.6974	Remote Similarity	NPD4307	Phase 2
0.697	Remote Similarity	NPD2296	Approved
0.6962	Remote Similarity	NPD3887	Approved
0.6959	Remote Similarity	NPD1470	Approved
0.6951	Remote Similarity	NPD37	Approved

Structure

External Identifiers

PubChem CID	76335577
ChEMBL	CHEMBL3104958
ZINC

Physicochemical Properties

Molecular Weight:	236.07
ALogP:	-0.8224
MLogP:	2.23
XLogP:	0.011
# Rotatable Bonds:	6
Polar Surface Area:	75.99
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	17

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