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CHEMBRIDGE-ZINC04020460

 MMsINC code: MMs00759681
Type: Neutral
Formula: C15H12N2O3
SMILES:   O=C1N(C)C(=O)c2c3c1ccc(NC(=O)C)c3ccc2
InChI:   InChI=1/C15H12N2O3/c1-8(18)16-12-7-6-11-13-9(12)4-3-5-10(13)14(19)17(2)15(11)20/h3-7H,1-2H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.272 g/mol  logS: -4.02206  SlogP: 2.024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01222  Sterimol/B1: 2.41775  Sterimol/B2: 2.44187  Sterimol/B3: 4.1887
  Sterimol/B4: 5.91004  Sterimol/L: 14.4026 
 
 Surface and Volume Properties
  Accessible surface: 460.152  Positive charged surface: 273.73  Negative charged surface: 175.949  Volume: 243.125
  Hydrophobic surface: 346.092  Hydrophilic surface: 114.06
 
 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.