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SIAL-ZINC00397408

 MMsINC code: MMs03912362
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)c1ccc(NC(=O)Nc2cc(ccc2)C)cc1
InChI:   InChI=1/C15H14N2O3/c1-10-3-2-4-13(9-10)17-15(20)16-12-7-5-11(6-8-12)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)=60.266 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: 0.018584  Sterimol/B1: 2.00978  Sterimol/B2: 2.35687  Sterimol/B3: 3.00736
  Sterimol/B4: 6.8046  Sterimol/L: 15.9736 
 
 Surface and Volume Properties
  Accessible surface: 515.895  Positive charged surface: 302.313  Negative charged surface: 213.582  Volume: 254.5
  Hydrophobic surface: 357.343  Hydrophilic surface: 158.552
 
 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


MMs03912363
SIAL-ZINC00397408