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ENAMINE-ZINC05162072

 MMsINC code: MMs01593705
Type: Neutral
Formula: C14H10F2N2O2
SMILES:   Fc1cc(F)ccc1N\N=C\c1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H10F2N2O2/c15-11-5-6-13(12(16)7-11)18-17-8-9-1-3-10(4-2-9)14(19)20/h1-8,18H,(H,19,20)/b17-8+

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Potential Energy
Epot(MMFF94)=64.2485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.242 g/mol  logS: -3.56627  SlogP: 3.109  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.24448e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10381  Sterimol/B3: 2.55748
  Sterimol/B4: 6.09967  Sterimol/L: 16.2796 
 
 Surface and Volume Properties
  Accessible surface: 484.812  Positive charged surface: 243.156  Negative charged surface: 241.656  Volume: 240.5
  Hydrophobic surface: 350.816  Hydrophilic surface: 133.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01593706
ENAMINE-ZINC05162072