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PUBCHEM-ZINC01120178

 MMsINC code: MMs02774130
Type: Neutral
Formula: C15H12F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1cc(ccc1C)C(O)=O
InChI:   InChI=1/C15H12F2N2O3/c1-8-2-3-9(14(20)21)6-13(8)19-15(22)18-12-5-4-10(16)7-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.268 g/mol  logS: -3.97188  SlogP: 3.61542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429773  Sterimol/B1: 2.02354  Sterimol/B2: 2.86967  Sterimol/B3: 3.64365
  Sterimol/B4: 8.50595  Sterimol/L: 14.6467 
 
 Surface and Volume Properties
  Accessible surface: 512.673  Positive charged surface: 270.421  Negative charged surface: 242.252  Volume: 257.25
  Hydrophobic surface: 370.755  Hydrophilic surface: 141.918
 
 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


MMs02774131
PUBCHEM-ZINC01120178