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CHEMDIV-ZINC06839453

 MMsINC code: MMs01045350
Type: Neutral
Formula: C16H12F2N2O2
SMILES:   Fc1ccc(F)cc1NC(=O)Cc1noc2c1cc(cc2)C
InChI:   InChI=1/C16H12F2N2O2/c1-9-2-5-15-11(6-9)13(20-22-15)8-16(21)19-14-7-10(17)3-4-12(14)18/h2-7H,8H2,1H3,(H,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.7935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.28 g/mol  logS: -5.12617  SlogP: 3.59559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117719  Sterimol/B1: 2.04373  Sterimol/B2: 3.66358  Sterimol/B3: 4.44249
  Sterimol/B4: 7.43819  Sterimol/L: 14.5121 
 
 Surface and Volume Properties
  Accessible surface: 519.502  Positive charged surface: 263.279  Negative charged surface: 252.83  Volume: 264
  Hydrophobic surface: 458.926  Hydrophilic surface: 60.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.