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APOLLO-ZINC02525257

 MMsINC code: MMs00052661
Type: Neutral
Formula: C3HCl2F3O
SMILES:   ClC(Cl)C(=O)C(F)(F)F
InChI:   InChI=1/C3HCl2F3O/c4-2(5)1(9)3(6,7)8/h2H

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Potential Energy
Epot(MMFF94)=25.9796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.94 g/mol  logS: -2.41617  SlogP: 2.7613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21061  Sterimol/B1: 2.54734  Sterimol/B2: 2.87395  Sterimol/B3: 3.68393
  Sterimol/B4: 3.73685  Sterimol/L: 8.52001 
 
 Surface and Volume Properties
  Accessible surface: 275.65  Positive charged surface: 33.7205  Negative charged surface: 241.93  Volume: 106.5
  Hydrophobic surface: 19.1211  Hydrophilic surface: 256.5289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.