NPASS drugs

Drug Information

Drug ID:	NPD9071
Drug Name:	Eniluracil
Molecular Formula:	C6H4N2O2
Canonical SMILES:	C#Cc1cnc(nc1O)O
Standard InCHI:	InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
Standard InCHIKey:	JOZGNYDSEBIJDH-UHFFFAOYSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9071

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	1102
0.1-0.2	24381
0.2-0.3	3626
0.3-0.4	1450
0.4-0.5	257
0.5-0.6	60
0.6-0.7	8
0.7-0.8	2
0.8-0.85	0
0.85-0.9	2
0.9-0.95	2
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	0.9406	NPC163105
High Similarity	0.9048	NPC329046
High Similarity	0.8922	NPC75844
High Similarity	0.8679	NPC27699
Intermediate Similarity	0.7344	NPC321929
Intermediate Similarity	0.7075	NPC326364
Remote Similarity	0.6897	NPC222061
Remote Similarity	0.6637	NPC476128
Remote Similarity	0.6532	NPC248627
Remote Similarity	0.6512	NPC248007

Showing 1 to 10 of 24 entries

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Drug Structure

External Identifiers

TTD	DNCL002735
DrugBank	DB03516
ChEMBL	CHEMBL355200
IUPHAR/BPS
PharmaGKB
KEGG Drug	D03998
PubChem CID	43157
ChEBI
CAS Number	59989-18-3

Drug Properties

Molecular Weight	136.03
ALogP	-0.1557
MLogP	1.68
XLogP	-0.339
HDA	2
HBD	2
Rotatable Bonds	2
TPSA	66.24
RO5 Violation	0