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PUBCHEM-ZINC06072500

 MMsINC code: MMs03525339
Type: Neutral
Formula: C2HClF2O
SMILES:   ClC1OC1(F)F
InChI:   InChI=1/C2HClF2O/c3-1-2(4,5)6-1/h1H/t1-/m1/s1

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Potential Energy
Epot(MMFF94)=15.4632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.478 g/mol  logS: -1.28733  SlogP: 2.0141  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.19905  Sterimol/B1: 2.34465  Sterimol/B2: 2.48613  Sterimol/B3: 2.98448
  Sterimol/B4: 3.3402  Sterimol/L: 7.26312 
 
 Surface and Volume Properties
  Accessible surface: 222.202  Positive charged surface: 50.4118  Negative charged surface: 171.79  Volume: 71.25
  Hydrophobic surface: 21.1465  Hydrophilic surface: 201.0555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.