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PUBCHEM-ZINC00397456

 MMsINC code: MMs02674130
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C)cc1
InChI:   InChI=1/C15H14N2O3/c1-10-2-6-12(7-3-10)16-15(20)17-13-8-4-11(5-9-13)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)=61.8941 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: 0.0245023  Sterimol/B1: 2.69807  Sterimol/B2: 2.71577  Sterimol/B3: 2.87064
  Sterimol/B4: 5.41072  Sterimol/L: 17.1726 
 
 Surface and Volume Properties
  Accessible surface: 515.561  Positive charged surface: 303.416  Negative charged surface: 212.145  Volume: 255.25
  Hydrophobic surface: 358.686  Hydrophilic surface: 156.875
 
 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


MMs02674131
PUBCHEM-ZINC00397456