NPASS drugs

Drug Information

Drug ID:	NPD1756
Drug Name:	Meperidine
Molecular Formula:	C15H21NO2
Canonical SMILES:	CCOC(=O)C1(CCN(CC1)C)c1ccccc1
Standard InCHI:	InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
Standard InCHIKey:	XADCESSVHJOZHK-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD1756

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	71
0.1-0.2	527
0.2-0.3	1696
0.3-0.4	6092
0.4-0.5	15786
0.5-0.6	5889
0.6-0.7	788
0.7-0.8	35
0.8-0.85	5
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	NPC158854
Intermediate Similarity	0.822	NPC291027
Intermediate Similarity	0.822	NPC169485
Intermediate Similarity	0.822	NPC84281
Intermediate Similarity	0.822	NPC213126
Intermediate Similarity	0.822	NPC317474
Intermediate Similarity	0.7822	NPC294134
Intermediate Similarity	0.7778	NPC322598
Intermediate Similarity	0.7769	NPC26285
Intermediate Similarity	0.776	NPC69496

Showing 1 to 10 of 200 entries

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Drug Structure

External Identifiers

TTD	DAP000230
DrugBank	DB00454
ChEMBL	CHEMBL607
IUPHAR/BPS	7221
PharmaGKB	PA450369
KEGG Drug
PubChem CID	4058
ChEBI	6754
CAS Number	57-42-1

Drug Properties

Molecular Weight	247.16
ALogP	0.5417
MLogP	2.78
XLogP	3.831
HDA	3
HBD	0
Rotatable Bonds	6
TPSA	29.54
RO5 Violation	0