NPASS drugs

Drug Information

Drug ID:	NPD9772
Drug Name:	Chloroform
Molecular Formula:	CHCl3
Canonical SMILES:	ClC(Cl)Cl
Standard InCHI:	InChI=1S/CHCl3/c2-1(3)4/h1H
Standard InCHIKey:	HEDRZPFGACZZDS-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9772

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	30853
0.1-0.2	18
0.2-0.3	10
0.3-0.4	2
0.4-0.5	4
0.5-0.6	1
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

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	NPC128350
High Similarity	1.0	NPC328339
Remote Similarity	0.5714	NPC328920

Drug Structure

External Identifiers

TTD
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	117.91
ALogP	1.6172
MLogP	1.24
XLogP	2.074
HDA	0
HBD	0
Rotatable Bonds	3
TPSA	0
RO5 Violation	0