NPASS drugs

Drug Information

Drug ID:	NPD9479
Drug Name:	Furazolidone
Molecular Formula:	C8H7N3O5
Canonical SMILES:	O=C1OCCN1/N=C/c1ccc(o1)N(=O)=O
Standard InCHI:	InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
Standard InCHIKey:	PLHJDBGFXBMTGZ-WEVVVXLNSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9479

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	373
0.1-0.2	5714
0.2-0.3	7406
0.3-0.4	10056
0.4-0.5	7021
0.5-0.6	314
0.6-0.7	6
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
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

Similarity Level	Similarity Score	Natural Product ID
Remote Similarity	0.6509	NPC325857
Remote Similarity	0.6201	NPC320751
Remote Similarity	0.6183	NPC471648
Remote Similarity	0.6171	NPC471647
Remote Similarity	0.6171	NPC471646
Remote Similarity	0.6085	NPC286195
Remote Similarity	0.592	NPC471653
Remote Similarity	0.5902	NPC471649
Remote Similarity	0.5876	NPC288305
Remote Similarity	0.5851	NPC471652
Remote Similarity	0.5848	NPC208022
Remote Similarity	0.5814	NPC297584
Remote Similarity	0.5756	NPC220408
Remote Similarity	0.5752	NPC477589
Remote Similarity	0.5752	NPC477587
Remote Similarity	0.575	NPC45389
Remote Similarity	0.5733	NPC146316
Remote Similarity	0.573	NPC168750
Remote Similarity	0.5722	NPC315631
Remote Similarity	0.5714	NPC270301
Remote Similarity	0.5714	NPC196718
Remote Similarity	0.5714	NPC102593
Remote Similarity	0.5702	NPC477588
Remote Similarity	0.5702	NPC477585
Remote Similarity	0.5702	NPC477590
Remote Similarity	0.5702	NPC477586
Remote Similarity	0.5693	NPC469961
Remote Similarity	0.5684	NPC314861
Remote Similarity	0.5654	NPC471651
Remote Similarity	0.5649	NPC217226
Remote Similarity	0.5631	NPC112937
Remote Similarity	0.5617	NPC292036
Remote Similarity	0.56	NPC233791

Drug Structure

External Identifiers

TTD	DIB010770; DAP000993
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	5323714
ChEBI
CAS Number

Drug Properties

Molecular Weight	225.04
ALogP	0.411
MLogP	1.46
XLogP	1.535
HDA	4
HBD	0
Rotatable Bonds	4
TPSA	98.18
RO5 Violation	0