NPASS drugs

Drug Information

Drug ID:	NPD8187
Drug Name:	polyacrylic acid
Molecular Formula:	C3H4O2
Canonical SMILES:	OC(=O)C=C
Standard InCHI:	InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Standard InCHIKey:	NIXOWILDQLNWCW-UHFFFAOYSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	DrugBank

Structural Similarity Between NPASS Natural Products and NPD8187

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	1132
0.1-0.2	19272
0.2-0.3	8580
0.3-0.4	1529
0.4-0.5	317
0.5-0.6	39
0.6-0.7	9
0.7-0.8	7
0.8-0.85	4
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

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC20903
Intermediate Similarity	0.8387	NPC224651
Intermediate Similarity	0.8387	NPC98098
Intermediate Similarity	0.8125	NPC297363
Intermediate Similarity	0.8125	NPC60675
Intermediate Similarity	0.7667	NPC280312
Intermediate Similarity	0.7647	NPC107877
Intermediate Similarity	0.7429	NPC63598
Intermediate Similarity	0.7273	NPC217161
Intermediate Similarity	0.7222	NPC298413
Intermediate Similarity	0.7097	NPC323552
Intermediate Similarity	0.7027	NPC8270
Remote Similarity	0.6857	NPC308418
Remote Similarity	0.6842	NPC221250
Remote Similarity	0.6667	NPC41409
Remote Similarity	0.6667	NPC102879
Remote Similarity	0.6579	NPC203382
Remote Similarity	0.6389	NPC65353
Remote Similarity	0.6316	NPC116125
Remote Similarity	0.6111	NPC122676
Remote Similarity	0.6	NPC306009
Remote Similarity	0.5926	NPC68873
Remote Similarity	0.5897	NPC147824
Remote Similarity	0.5862	NPC181153
Remote Similarity	0.5854	NPC169098
Remote Similarity	0.5833	NPC63354
Remote Similarity	0.5806	NPC235797
Remote Similarity	0.575	NPC250954
Remote Similarity	0.575	NPC297608
Remote Similarity	0.575	NPC281043
Remote Similarity	0.5652	NPC221467
Remote Similarity	0.5625	NPC94980

Drug Structure

External Identifiers

TTD
DrugBank	DB05384
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number	151687-96-6

Drug Properties

Molecular Weight	72.02
ALogP	0.361
MLogP	1.57
XLogP	0.212
HDA	2
HBD	1
Rotatable Bonds	2
TPSA	37.3
RO5 Violation	0