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ENAMINE-ZINC05162072

 MMsINC code: MMs01593706
Type: Ionized
Formula: C14H9F2N2O2-
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)/p-1/b17-8+

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Potential Energy
Epot(MMFF94)=62.0632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.234 g/mol  logS: -3.82672  SlogP: 1.7743  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.01372e-08  Sterimol/B1: 2.09712  Sterimol/B2: 2.09795  Sterimol/B3: 2.56194
  Sterimol/B4: 5.7372  Sterimol/L: 16.7365 
 
 Surface and Volume Properties
  Accessible surface: 481.59  Positive charged surface: 218.809  Negative charged surface: 262.781  Volume: 237.25
  Hydrophobic surface: 354.103  Hydrophilic surface: 127.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01593705
ENAMINE-ZINC05162072