Drug Information

Drug ID:  NPD605
Drug Name:  
Molecular Formula:  C11H18N2O2
Canonical SMILES:  CCN1C(=O)CC2(C1=O)CCN(CC2)C
Standard InCHI:  InChI=1S/C11H18N2O2/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3
Standard InCHIKey:  UIHKDOBBVHGTAQ-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD605

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

Drug Structure

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External Identifiers

TTD   DNC001236
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   87933
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  210.14
ALogP  -0.0907
MLogP  2.23
XLogP  -0.398
HDA  4
HBD  0
Rotatable Bonds  3
TPSA  40.62
RO5 Violation  0