Drug Information

Drug ID:  NPD635
Drug Name:  Neramexane Mesylate
Molecular Formula:  C11H23N.CH4O3S
Canonical SMILES:  CC1(C)CC(C)(C)CC(C1)(C)N.CS(=O)(=O)O
Standard InCHI:  InChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4)
Standard InCHIKey:  CLUKHUGGXSIGRX-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD635

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 0.6739 NPC181141
Remote Similarity 0.6531 NPC472829
Remote Similarity 0.5849 NPC475272
Remote Similarity 0.5686 NPC133178
Remote Similarity 0.5686 NPC106990
Remote Similarity 0.5667 NPC53276
Remote Similarity 0.566 NPC212905
Remote Similarity 0.5641 NPC313882

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  169.18
ALogP  2.3317
MLogP  2.56
XLogP  3.907
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  26.02
RO5 Violation  0