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PUBCHEM-ZINC02040624

 MMsINC code: MMs02862775
Type: Neutral
Formula: C3H5ClF2O
SMILES:   ClCC(F)(F)OC
InChI:   InChI=1/C3H5ClF2O/c1-7-3(5,6)2-4/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.521 g/mol  logS: -1.25776  SlogP: 1.8843  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144545  Sterimol/B1: 2.38152  Sterimol/B2: 2.63757  Sterimol/B3: 2.63874
  Sterimol/B4: 3.00774  Sterimol/L: 9.29242 
 
 Surface and Volume Properties
  Accessible surface: 268.352  Positive charged surface: 137.354  Negative charged surface: 130.998  Volume: 96.5
  Hydrophobic surface: 136.533  Hydrophilic surface: 131.819
 
 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.