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ENAMINE-ZINC03548927

MMsINC code: MMs01502371

Type: Neutral
Formula: C20H18N2O4
SMILES:   o1c(nc(C(OCC(=O)NCc2ccccc2)=O)c1C)-c1ccccc1
InChI:   InChI=1/C20H18N2O4/c1-14-18(22-19(26-14)16-10-6-3-7-11-16)20(24)25-13-17(23)21-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=75.8011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.374 g/mol  logS: -5.67358  SlogP: 3.38962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224098  Sterimol/B1: 1.969  Sterimol/B2: 3.61503  Sterimol/B3: 3.62021
  Sterimol/B4: 9.45362  Sterimol/L: 21.1039 
 
 Surface and Volume Properties
  Accessible surface: 660.978  Positive charged surface: 389.862  Negative charged surface: 271.116  Volume: 338.25
  Hydrophobic surface: 541.517  Hydrophilic surface: 119.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.