NPASS drugs

Drug Information

Drug ID:	NPD466
Drug Name:	Phensuximide
Molecular Formula:	C11H11NO2
Canonical SMILES:	CN1C(=O)CC(C1=O)c1ccccc1
Standard InCHI:	InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
Standard InCHIKey:	WLWFNJKHKGIJNW-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD466

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	73
0.1-0.2	1109
0.2-0.3	4522
0.3-0.4	14290
0.4-0.5	9124
0.5-0.6	1431
0.6-0.7	315
0.7-0.8	23
0.8-0.85	1
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

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Similarity Level	Similarity Score	Natural Product ID
High Similarity	0.8627	NPC55529
High Similarity	0.8542	NPC71140
Intermediate Similarity	0.8081	NPC256452
Intermediate Similarity	0.757	NPC473418
Intermediate Similarity	0.75	NPC45033
Intermediate Similarity	0.7451	NPC474974
Intermediate Similarity	0.7353	NPC473661
Intermediate Similarity	0.732	NPC474088
Intermediate Similarity	0.7238	NPC472258
Intermediate Similarity	0.7217	NPC473573

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Drug Structure

External Identifiers

TTD	DIB015510
DrugBank	DB00832
ChEMBL	CHEMBL797
IUPHAR/BPS
PharmaGKB	PA164771230
KEGG Drug	D00508
PubChem CID	6839
ChEBI	8079
CAS Number	86-34-0

Drug Properties

Molecular Weight	189.08
ALogP	-0.7659
MLogP	2.34
XLogP	2.372
HDA	3
HBD	0
Rotatable Bonds	2
TPSA	37.38
RO5 Violation	0