NPASS drugs

Drug Information

Drug ID:	NPD9751
Drug Name:	methanesulfonyl fluoride (oral, Alzheimer's disease/cognitive disorder), SeneXta
Molecular Formula:	CH3FO2S
Canonical SMILES:	CS(=O)(=O)F
Standard InCHI:	InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
Standard InCHIKey:	KNWQLFOXPQZGPX-UHFFFAOYSA-N
Max Developmental Stage:	Phase 1
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD9751

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	30569
0.1-0.2	287
0.2-0.3	24
0.3-0.4	6
0.4-0.5	0
0.5-0.6	2
0.6-0.7	2
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	0.6667	NPC256853
Remote Similarity	0.625	NPC323500

Drug Structure

External Identifiers

TTD	DIB003305
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	97.98
ALogP	-0.1241
MLogP	1.13
XLogP	-0.063
HDA	2
HBD	0
Rotatable Bonds	2
TPSA	42.52
RO5 Violation	0