NPASS drugs

Drug Information

Drug ID:	NPD7369
Drug Name:	Acetohydroxamic Acid
Molecular Formula:	C2H5NO2
Canonical SMILES:	ON=C(O)C
Standard InCHI:	InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Standard InCHIKey:	RRUDCFGSUDOHDG-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD7369

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	14744
0.1-0.2	14431
0.2-0.3	1294
0.3-0.4	346
0.4-0.5	54
0.5-0.6	14
0.6-0.7	4
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

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	1.0	NPC319972
Intermediate Similarity	0.7727	NPC85447
Intermediate Similarity	0.7391	NPC318463
Remote Similarity	0.6667	NPC165568
Remote Similarity	0.6667	NPC290188
Remote Similarity	0.64	NPC326378
Remote Similarity	0.6333	NPC60250
Remote Similarity	0.5862	NPC254685
Remote Similarity	0.5714	NPC199978
Remote Similarity	0.5625	NPC260324

Showing 1 to 10 of 10 entries

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Drug Structure

External Identifiers

TTD	DAP001277
DrugBank	DB00551
ChEMBL	CHEMBL734
IUPHAR/BPS
PharmaGKB	PA164749213
KEGG Drug	D00220
PubChem CID	1990
ChEBI	49029
CAS Number	546-88-3

Drug Properties

Molecular Weight	75.03
ALogP	-0.188
MLogP	1.35
XLogP	0.163
HDA	1
HBD	2
Rotatable Bonds	3
TPSA	52.82
RO5 Violation	0