Drug Information

Drug ID:  NPD625
Drug Name:  Mecamylamine Hydrochloride
Molecular Formula:  C11H21N.ClH
Canonical SMILES:  CNC1(C)C2CCC(C1(C)C)C2.Cl
Standard InCHI:  InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H
Standard InCHIKey:  PKVZBNCYEICAQP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD625

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.


  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 0.697 NPC469970
Remote Similarity 0.6912 NPC271640
Remote Similarity 0.6818 NPC53276
Remote Similarity 0.6786 NPC181141
Remote Similarity 0.6557 NPC472828
Remote Similarity 0.6515 NPC477739
Remote Similarity 0.6212 NPC21781
Remote Similarity 0.6071 NPC15231
Remote Similarity 0.6053 NPC25110
Remote Similarity 0.6032 NPC475272
Remote Similarity 0.5875 NPC329782
Remote Similarity 0.5844 NPC174803
Remote Similarity 0.5844 NPC259989
Remote Similarity 0.5806 NPC201713
Remote Similarity 0.5802 NPC472312
Remote Similarity 0.5714 NPC477740
Remote Similarity 0.5679 NPC118329
Remote Similarity 0.5679 NPC152039
Remote Similarity 0.5625 NPC211322

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  167.17
ALogP  0.7121
MLogP  2.56
XLogP  2.657
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  12.03
RO5 Violation  0