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APOLLO-ZINC02243132

 MMsINC code: MMs00051108
Type: Neutral
Formula: C7H7F2N
SMILES:   Fc1cc(N)cc(F)c1C
InChI:   InChI=1/C7H7F2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.8032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.136 g/mol  logS: -1.85619  SlogP: 1.85542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019567  Sterimol/B1: 2.10266  Sterimol/B2: 2.51219  Sterimol/B3: 3.86487
  Sterimol/B4: 3.86554  Sterimol/L: 9.58761 
 
 Surface and Volume Properties
  Accessible surface: 307.295  Positive charged surface: 172.133  Negative charged surface: 135.163  Volume: 126
  Hydrophobic surface: 245.06  Hydrophilic surface: 62.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.