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PUBCHEM-ZINC05933802

 MMsINC code: MMs03451685
Type: Neutral
Formula: C13H10ClFN2
SMILES:   Cl\C(=N/Nc1ccccc1)\c1ccc(F)cc1
InChI:   InChI=1/C13H10ClFN2/c14-13(10-6-8-11(15)9-7-10)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13-

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Potential Energy
Epot(MMFF94)=66.8321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.688 g/mol  logS: -4.42193  SlogP: 3.8382  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.67165e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10414  Sterimol/B3: 3.24023
  Sterimol/B4: 5.89814  Sterimol/L: 14.748 
 
 Surface and Volume Properties
  Accessible surface: 457.531  Positive charged surface: 194.188  Negative charged surface: 263.342  Volume: 226.625
  Hydrophobic surface: 380.763  Hydrophilic surface: 76.768
 
 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.