NPASS Natural Product

Natural Product: NPC287068

Natural Product ID:	NPC287068
Common Name:	(-)-Gynuraone
IUPAC Name:	(2R,3R)-3,5-dihydroxy-2-methyl-2,3-dihydrochromen-4-one
Synonyms:	(-)-Gynuraone
Molecular Formula:	C10H10O4
Standard InCHIKey:	COBAEYCUCRUGRP-MLUIRONXSA-N
Standard InCHI:	InChI=1S/C10H10O4/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-5,9,11-12H,1H3/t5-,9-/m1/s1
Canonical SMILES:	C[C@H]1Oc2cccc(c2C(=O)[C@@H]1O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO33247	microdiplodia sp.	Species	Botryosphaeriaceae	Eukaryota	PMID[21244021]
NPO13501	Gynura segetum	Species	Asteraceae	Eukaryota	TCM_Taiwan*
NPO30809	Microdiplodia	Genus	Botryosphaeriaceae	Eukaryota	PMID[21244021]
NPO13501	Gynura segetum	Species	Asteraceae	Eukaryota	UNPD*
NPO13501	Gynura segetum	Species	Asteraceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
MIC	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1465	Organism	Legionella pneumophila	Legionella pneumophila	MIC	=	1000	ug/ml	21244021

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 NPC287068 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	219
0.1-0.2	1015
0.2-0.3	2613
0.3-0.4	6223
0.4-0.5	7072
0.5-0.6	2699
0.6-0.7	4535
0.7-0.8	4320
0.8-0.85	1628
0.85-0.9	526
0.9-0.95	38
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9559	High Similarity	NPC150023
0.9357	High Similarity	NPC3779
0.9357	High Similarity	NPC476182
0.9357	High Similarity	NPC211466
0.9357	High Similarity	NPC40086
0.9357	High Similarity	NPC44721
0.9357	High Similarity	NPC176869
0.9357	High Similarity	NPC122828
0.9353	High Similarity	NPC49130
0.9353	High Similarity	NPC4152
0.9353	High Similarity	NPC279417
0.9353	High Similarity	NPC208176
0.9353	High Similarity	NPC142731
0.9353	High Similarity	NPC62290
0.9353	High Similarity	NPC306607
0.9353	High Similarity	NPC326506
0.9286	High Similarity	NPC148011
0.9286	High Similarity	NPC1940
0.9155	High Similarity	NPC218569
0.9097	High Similarity	NPC262039
0.9097	High Similarity	NPC278476
0.9097	High Similarity	NPC262038
0.9097	High Similarity	NPC254412
0.9097	High Similarity	NPC319910
0.9085	High Similarity	NPC472918
0.9085	High Similarity	NPC21835
0.9058	High Similarity	NPC268691
0.9051	High Similarity	NPC121243
0.9051	High Similarity	NPC240147
0.9037	High Similarity	NPC128216
0.9034	High Similarity	NPC171651
0.9034	High Similarity	NPC216035
0.9034	High Similarity	NPC35567
0.9034	High Similarity	NPC217149
0.9034	High Similarity	NPC243171
0.9034	High Similarity	NPC138288
0.9028	High Similarity	NPC105136
0.9021	High Similarity	NPC191634
0.9014	High Similarity	NPC229190
0.8993	High Similarity	NPC471697
0.8973	High Similarity	NPC293286
0.8971	High Similarity	NPC223457
0.8958	High Similarity	NPC477941
0.8958	High Similarity	NPC277032
0.8951	High Similarity	NPC91902
0.8951	High Similarity	NPC47388
0.8951	High Similarity	NPC470670
0.8951	High Similarity	NPC23084
0.8951	High Similarity	NPC473133
0.8951	High Similarity	NPC85773
0.8944	High Similarity	NPC297788
0.8936	High Similarity	NPC476164
0.8936	High Similarity	NPC476310
0.8912	High Similarity	NPC304207
0.8912	High Similarity	NPC259710
0.8912	High Similarity	NPC217706
0.8912	High Similarity	NPC111341
0.8912	High Similarity	NPC304745
0.8912	High Similarity	NPC48579
0.8912	High Similarity	NPC207809
0.8905	High Similarity	NPC248872
0.8904	High Similarity	NPC61506
0.8904	High Similarity	NPC253904
0.8904	High Similarity	NPC260491
0.8904	High Similarity	NPC321363
0.8904	High Similarity	NPC275878
0.8904	High Similarity	NPC246162
0.8904	High Similarity	NPC240476
0.8904	High Similarity	NPC36835
0.8904	High Similarity	NPC9743
0.8897	High Similarity	NPC267117
0.8889	High Similarity	NPC199335
0.8889	High Similarity	NPC10097
0.8881	High Similarity	NPC187907
0.8873	High Similarity	NPC242100
0.8873	High Similarity	NPC255133
0.8857	High Similarity	NPC152042
0.8857	High Similarity	NPC222342
0.8857	High Similarity	NPC150648
0.8857	High Similarity	NPC310135
0.8857	High Similarity	NPC265871
0.8857	High Similarity	NPC20709
0.8857	High Similarity	NPC274784
0.8857	High Similarity	NPC241838
0.8857	High Similarity	NPC143799
0.8857	High Similarity	NPC329203
0.8857	High Similarity	NPC225153
0.8851	High Similarity	NPC13858
0.8851	High Similarity	NPC326037
0.8851	High Similarity	NPC215917
0.8851	High Similarity	NPC10754
0.8851	High Similarity	NPC320825
0.8851	High Similarity	NPC20530
0.8849	High Similarity	NPC243083
0.8849	High Similarity	NPC295261
0.8849	High Similarity	NPC107586
0.8849	High Similarity	NPC13768
0.8849	High Similarity	NPC296490
0.8849	High Similarity	NPC287246
0.8849	High Similarity	NPC79943
0.8849	High Similarity	NPC32441
0.8849	High Similarity	NPC12296
0.8844	High Similarity	NPC27532
0.8844	High Similarity	NPC180301
0.8844	High Similarity	NPC268193
0.8844	High Similarity	NPC246328
0.8844	High Similarity	NPC256346
0.8844	High Similarity	NPC203080
0.8844	High Similarity	NPC248793
0.8844	High Similarity	NPC20907
0.8844	High Similarity	NPC301233
0.8844	High Similarity	NPC244250
0.8844	High Similarity	NPC325028
0.8836	High Similarity	NPC244577
0.8836	High Similarity	NPC471676
0.8836	High Similarity	NPC263384
0.8836	High Similarity	NPC207346
0.8836	High Similarity	NPC472420
0.8836	High Similarity	NPC471229
0.8836	High Similarity	NPC472422
0.8836	High Similarity	NPC46564
0.8836	High Similarity	NPC295650
0.8836	High Similarity	NPC471677
0.8828	High Similarity	NPC307052
0.8828	High Similarity	NPC472628
0.8828	High Similarity	NPC139966
0.8824	High Similarity	NPC475589
0.8824	High Similarity	NPC31872
0.8824	High Similarity	NPC473584
0.8819	High Similarity	NPC202494
0.8819	High Similarity	NPC218685
0.8819	High Similarity	NPC472627
0.8803	High Similarity	NPC130206
0.8803	High Similarity	NPC162476
0.8794	High Similarity	NPC230285
0.8794	High Similarity	NPC184536
0.8794	High Similarity	NPC281207
0.8794	High Similarity	NPC103342
0.8794	High Similarity	NPC269652
0.8794	High Similarity	NPC103904
0.8794	High Similarity	NPC6407
0.8794	High Similarity	NPC110228
0.8794	High Similarity	NPC59951
0.8794	High Similarity	NPC146679
0.8794	High Similarity	NPC188243
0.8792	High Similarity	NPC52530
0.8792	High Similarity	NPC6985
0.8792	High Similarity	NPC108831
0.8792	High Similarity	NPC182634
0.8786	High Similarity	NPC280284
0.8786	High Similarity	NPC188947
0.8786	High Similarity	NPC472460
0.8786	High Similarity	NPC99333
0.8786	High Similarity	NPC329225
0.8786	High Similarity	NPC147686
0.8784	High Similarity	NPC473241
0.8784	High Similarity	NPC326910
0.8784	High Similarity	NPC237560
0.8777	High Similarity	NPC187432
0.8777	High Similarity	NPC470397
0.8777	High Similarity	NPC116775
0.8777	High Similarity	NPC256042
0.8777	High Similarity	NPC216361
0.8777	High Similarity	NPC281917
0.8776	High Similarity	NPC150123
0.8776	High Similarity	NPC10807
0.8776	High Similarity	NPC56232
0.8776	High Similarity	NPC161881
0.8776	High Similarity	NPC244583
0.8776	High Similarity	NPC19721
0.8776	High Similarity	NPC475790
0.8776	High Similarity	NPC210597
0.8767	High Similarity	NPC477240
0.8767	High Similarity	NPC214454
0.8767	High Similarity	NPC106025
0.8767	High Similarity	NPC191154
0.8767	High Similarity	NPC116822
0.8759	High Similarity	NPC25937
0.8759	High Similarity	NPC203817
0.875	High Similarity	NPC270369
0.875	High Similarity	NPC472629
0.875	High Similarity	NPC137264
0.875	High Similarity	NPC5515
0.875	High Similarity	NPC474302
0.8741	High Similarity	NPC18886
0.8741	High Similarity	NPC10302
0.8741	High Similarity	NPC105381
0.8741	High Similarity	NPC197425
0.8733	High Similarity	NPC41121
0.8733	High Similarity	NPC111929
0.8733	High Similarity	NPC472459
0.8733	High Similarity	NPC320283
0.8733	High Similarity	NPC22192
0.8732	High Similarity	NPC312391
0.8732	High Similarity	NPC262094
0.8732	High Similarity	NPC136840
0.8732	High Similarity	NPC324386
0.8732	High Similarity	NPC213322
0.8732	High Similarity	NPC90582
0.8732	High Similarity	NPC4743

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC287068 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	251
0.1-0.2	807
0.2-0.3	1637
0.3-0.4	2573
0.4-0.5	2023
0.5-0.6	1190
0.6-0.7	499
0.7-0.8	139
0.8-0.85	32
0.85-0.9	10
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8849	High Similarity	NPD1550	Clinical (unspecified phase)
0.8849	High Similarity	NPD1552	Clinical (unspecified phase)
0.8786	High Similarity	NPD1549	Phase 2
0.869	High Similarity	NPD5403	Approved
0.8681	High Similarity	NPD5401	Approved
0.8649	High Similarity	NPD1934	Approved
0.8611	High Similarity	NPD6799	Approved
0.8552	High Similarity	NPD4378	Clinical (unspecified phase)
0.8543	High Similarity	NPD7075	Discontinued
0.8514	High Similarity	NPD4380	Phase 2
0.8493	Intermediate Similarity	NPD1512	Approved
0.8467	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8467	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8452	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8452	Intermediate Similarity	NPD6166	Phase 2
0.8452	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8421	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8417	Intermediate Similarity	NPD1240	Approved
0.8411	Intermediate Similarity	NPD5402	Approved
0.84	Intermediate Similarity	NPD6801	Discontinued
0.838	Intermediate Similarity	NPD1551	Phase 2
0.8356	Intermediate Similarity	NPD1511	Approved
0.8355	Intermediate Similarity	NPD3882	Suspended
0.831	Intermediate Similarity	NPD1510	Phase 2
0.8298	Intermediate Similarity	NPD1607	Approved
0.8291	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8276	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8267	Intermediate Similarity	NPD6599	Discontinued
0.8224	Intermediate Similarity	NPD2801	Approved
0.8187	Intermediate Similarity	NPD6797	Phase 2
0.817	Intermediate Similarity	NPD3817	Phase 2
0.8137	Intermediate Similarity	NPD7251	Discontinued
0.8125	Intermediate Similarity	NPD2796	Approved
0.8088	Intermediate Similarity	NPD9717	Approved
0.8086	Intermediate Similarity	NPD7808	Phase 3
0.8063	Intermediate Similarity	NPD7054	Approved
0.8052	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8043	Intermediate Similarity	NPD1203	Approved
0.8015	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD7074	Phase 3
0.8012	Intermediate Similarity	NPD7472	Approved
0.7975	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD7411	Suspended
0.7933	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD6559	Discontinued
0.7888	Intermediate Similarity	NPD3818	Discontinued
0.7847	Intermediate Similarity	NPD447	Suspended
0.7838	Intermediate Similarity	NPD2800	Approved
0.7785	Intermediate Similarity	NPD3750	Approved
0.7778	Intermediate Similarity	NPD1613	Approved
0.7778	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7762	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD7819	Suspended
0.7754	Intermediate Similarity	NPD1091	Approved
0.7754	Intermediate Similarity	NPD422	Phase 1
0.7746	Intermediate Similarity	NPD6832	Phase 2
0.773	Intermediate Similarity	NPD1019	Discontinued
0.7718	Intermediate Similarity	NPD1652	Phase 2
0.7704	Intermediate Similarity	NPD9493	Approved
0.7688	Intermediate Similarity	NPD6959	Discontinued
0.7667	Intermediate Similarity	NPD4628	Phase 3
0.7658	Intermediate Similarity	NPD7768	Phase 2
0.7636	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD5494	Approved
0.7603	Intermediate Similarity	NPD1933	Approved
0.7597	Intermediate Similarity	NPD920	Approved
0.7591	Intermediate Similarity	NPD1548	Phase 1
0.7578	Intermediate Similarity	NPD1247	Approved
0.7562	Intermediate Similarity	NPD919	Approved
0.7561	Intermediate Similarity	NPD3751	Discontinued
0.7557	Intermediate Similarity	NPD290	Approved
0.7551	Intermediate Similarity	NPD6651	Approved
0.7546	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD6798	Discontinued
0.7517	Intermediate Similarity	NPD2935	Discontinued
0.7517	Intermediate Similarity	NPD2313	Discontinued
0.7517	Intermediate Similarity	NPD411	Approved
0.75	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1610	Phase 2
0.75	Intermediate Similarity	NPD3749	Approved
0.7483	Intermediate Similarity	NPD1243	Approved
0.7483	Intermediate Similarity	NPD230	Phase 1
0.7483	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD1241	Discontinued
0.7468	Intermediate Similarity	NPD2532	Approved
0.7468	Intermediate Similarity	NPD4661	Approved
0.7468	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD2534	Approved
0.7468	Intermediate Similarity	NPD2533	Approved
0.7468	Intermediate Similarity	NPD4662	Approved
0.7466	Intermediate Similarity	NPD6233	Phase 2
0.7451	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD7033	Discontinued
0.745	Intermediate Similarity	NPD3748	Approved
0.745	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD3787	Discontinued
0.7417	Intermediate Similarity	NPD2424	Discontinued
0.7415	Intermediate Similarity	NPD943	Approved
0.741	Intermediate Similarity	NPD5844	Phase 1
0.74	Intermediate Similarity	NPD6100	Approved
0.74	Intermediate Similarity	NPD6099	Approved
0.7379	Intermediate Similarity	NPD4908	Phase 1
0.7365	Intermediate Similarity	NPD5124	Phase 1
0.7365	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD6355	Discontinued
0.7361	Intermediate Similarity	NPD5647	Approved
0.7351	Intermediate Similarity	NPD2346	Discontinued
0.7351	Intermediate Similarity	NPD2344	Approved
0.7338	Intermediate Similarity	NPD9545	Approved
0.7333	Intermediate Similarity	NPD2799	Discontinued
0.733	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD3027	Phase 3
0.7325	Intermediate Similarity	NPD1653	Approved
0.7317	Intermediate Similarity	NPD6232	Discontinued
0.7312	Intermediate Similarity	NPD1465	Phase 2
0.7305	Intermediate Similarity	NPD7286	Phase 2
0.7299	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD8312	Approved
0.7294	Intermediate Similarity	NPD8313	Approved
0.7292	Intermediate Similarity	NPD2797	Approved
0.7289	Intermediate Similarity	NPD7473	Discontinued
0.7279	Intermediate Similarity	NPD3268	Approved
0.7279	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD1296	Phase 2
0.7278	Intermediate Similarity	NPD3226	Approved
0.7273	Intermediate Similarity	NPD3926	Phase 2
0.7255	Intermediate Similarity	NPD2654	Approved
0.725	Intermediate Similarity	NPD6844	Discontinued
0.7241	Intermediate Similarity	NPD2798	Approved
0.7235	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD4062	Phase 3
0.7222	Intermediate Similarity	NPD3225	Approved
0.7219	Intermediate Similarity	NPD4308	Phase 3
0.7219	Intermediate Similarity	NPD5953	Discontinued
0.7188	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD2309	Approved
0.7153	Intermediate Similarity	NPD4749	Approved
0.7134	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD2403	Approved
0.7124	Intermediate Similarity	NPD6004	Phase 3
0.7124	Intermediate Similarity	NPD6002	Phase 3
0.7124	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6005	Phase 3
0.7124	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD4360	Phase 2
0.7119	Intermediate Similarity	NPD4363	Phase 3
0.7111	Intermediate Similarity	NPD9266	Approved
0.7111	Intermediate Similarity	NPD74	Approved
0.7083	Intermediate Similarity	NPD1481	Phase 2
0.7083	Intermediate Similarity	NPD1608	Approved
0.7075	Intermediate Similarity	NPD9494	Approved
0.7069	Intermediate Similarity	NPD8434	Phase 2
0.7063	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD3266	Approved
0.7055	Intermediate Similarity	NPD3267	Approved
0.7051	Intermediate Similarity	NPD2354	Approved
0.7037	Intermediate Similarity	NPD9263	Approved
0.7037	Intermediate Similarity	NPD9264	Approved
0.7037	Intermediate Similarity	NPD9267	Approved
0.7027	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD4575	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD6778	Approved
0.7017	Intermediate Similarity	NPD6782	Approved
0.7017	Intermediate Similarity	NPD6780	Approved
0.7017	Intermediate Similarity	NPD6776	Approved
0.7017	Intermediate Similarity	NPD6777	Approved
0.7017	Intermediate Similarity	NPD6779	Approved
0.7017	Intermediate Similarity	NPD6781	Approved
0.7014	Intermediate Similarity	NPD1201	Approved
0.7014	Intermediate Similarity	NPD1535	Discovery
0.7013	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD5711	Approved
0.7006	Intermediate Similarity	NPD5710	Approved
0.7	Intermediate Similarity	NPD520	Approved
0.6994	Remote Similarity	NPD8455	Phase 2
0.6993	Remote Similarity	NPD1778	Approved
0.6993	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD2684	Approved
0.6981	Remote Similarity	NPD5049	Phase 3
0.698	Remote Similarity	NPD4625	Phase 3
0.6977	Remote Similarity	NPD6104	Discontinued
0.6974	Remote Similarity	NPD6653	Approved
0.6973	Remote Similarity	NPD7584	Approved
0.6971	Remote Similarity	NPD8150	Discontinued
0.6963	Remote Similarity	NPD968	Approved
0.6959	Remote Similarity	NPD1729	Discontinued
0.6957	Remote Similarity	NPD2651	Approved
0.6957	Remote Similarity	NPD2649	Approved
0.6954	Remote Similarity	NPD4060	Phase 1
0.6954	Remote Similarity	NPD4307	Phase 2
0.695	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD3496	Discontinued
0.6943	Remote Similarity	NPD6190	Approved

Structure

External Identifiers

PubChem CID	54582272
ChEMBL	CHEMBL1765413
ZINC

Physicochemical Properties

Molecular Weight:	194.06
ALogP:	-1.4947
MLogP:	2.12
XLogP:	0.636
# Rotatable Bonds:	3
Polar Surface Area:	66.76
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	14

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