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PUBCHEM-ZINC06227005

 MMsINC code: MMs03622060
Type: Neutral
Formula: C14H9F5N2
SMILES:   Fc1cccc(F)c1\C=N\Nc1ccccc1C(F)(F)F
InChI:   InChI=1/C14H9F5N2/c15-11-5-3-6-12(16)9(11)8-20-21-13-7-2-1-4-10(13)14(17,18)19/h1-8,21H/b20-8+

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Potential Energy
Epot(MMFF94)=67.5768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.23 g/mol  logS: -4.65342  SlogP: 4.7411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00645981  Sterimol/B1: 2.63773  Sterimol/B2: 2.6384  Sterimol/B3: 3.11243
  Sterimol/B4: 5.76225  Sterimol/L: 14.6786 
 
 Surface and Volume Properties
  Accessible surface: 480.255  Positive charged surface: 198.34  Negative charged surface: 281.915  Volume: 242.25
  Hydrophobic surface: 356.247  Hydrophilic surface: 124.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.