Drug Information

Drug ID:  NPD540
Drug Name:  Narcobarbital
Molecular Formula:  C11H15BrN2O3
Canonical SMILES:  BrC(=C)CC1(C(C)C)C(=NC(=O)N(C1=O)C)O
Standard InCHI:  InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
Standard InCHIKey:  WGMASVSHOSNKMF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD540

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 0.6125 NPC124849
Remote Similarity 0.6125 NPC21848

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  302.03
ALogP  0.8191
MLogP  2.01
XLogP  1.622
HDA  5
HBD  1
Rotatable Bonds  8
TPSA  69.97
RO5 Violation  0