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PUBCHEM-ZINC02762849

 MMsINC code: MMs02919045
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)c1cc(NC(=O)Nc2ccc(cc2)C)ccc1
InChI:   InChI=1/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)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)=59.2353 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: 0.0340752  Sterimol/B1: 2.77971  Sterimol/B2: 3.17392  Sterimol/B3: 3.77211
  Sterimol/B4: 5.67013  Sterimol/L: 15.6196 
 
 Surface and Volume Properties
  Accessible surface: 515.678  Positive charged surface: 302.881  Negative charged surface: 212.797  Volume: 253
  Hydrophobic surface: 358.887  Hydrophilic surface: 156.791
 
 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


MMs02919046
PUBCHEM-ZINC02762849