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PUBCHEM-ZINC00397438

 MMsINC code: MMs02674120
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)c1ccccc1NC(=O)Nc1ccc(cc1)C
InChI:   InChI=1/C15H14N2O3/c1-10-6-8-11(9-7-10)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -3.69537  SlogP: 3.33722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369734  Sterimol/B1: 2.67058  Sterimol/B2: 3.34457  Sterimol/B3: 4.17579
  Sterimol/B4: 5.09248  Sterimol/L: 15.6002 
 
 Surface and Volume Properties
  Accessible surface: 507.825  Positive charged surface: 300.627  Negative charged surface: 207.198  Volume: 252.375
  Hydrophobic surface: 372.208  Hydrophilic surface: 135.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02674121
PUBCHEM-ZINC00397438