NPASS drugs

Drug Information

Drug ID:	NPD290
Drug Name:	Mephenesin
Molecular Formula:	C10H14O3
Canonical SMILES:	OCC(COc1ccccc1C)O
Standard InCHI:	InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
Standard InCHIKey:	JWDYCNIAQWPBHD-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD290

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	167
0.1-0.2	952
0.2-0.3	3256
0.3-0.4	8816
0.4-0.5	4339
0.5-0.6	4630
0.6-0.7	6700
0.7-0.8	1910
0.8-0.85	100
0.85-0.9	18
0.9-0.95	1
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

Show entries

Search:

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC194034
High Similarity	0.9143	NPC46844
High Similarity	0.8932	NPC108875
High Similarity	0.8932	NPC38079
High Similarity	0.8846	NPC470393
High Similarity	0.8818	NPC290470
High Similarity	0.8818	NPC154256
High Similarity	0.8796	NPC115379
High Similarity	0.8738	NPC51633
High Similarity	0.8725	NPC100870

Showing 1 to 10 of 200 entries

Previous1 2 3 4 5…20Next

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	182.09
ALogP	-0.4599
MLogP	2.23
XLogP	1.294
HDA	2
HBD	2
Rotatable Bonds	7
TPSA	49.69
RO5 Violation	0