Drug Information

Drug ID:  NPD1345
Drug Name:  Methohexital Sodium
Molecular Formula:  C14H18N2O3.Na
Canonical SMILES:  C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)[O-].[Na+]
Standard InCHI:  InChI=1S/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1
Standard InCHIKey:  KDXZREBVGAGZHS-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1345

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 0.6282 NPC124849
Remote Similarity 0.6282 NPC21848

Drug Structure

External Identifiers

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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  261.12
ALogP  0.4182
MLogP  2.45
XLogP  2.114
HDA  5
HBD  0
Rotatable Bonds  7
TPSA  72.8
RO5 Violation  0