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PUBCHEM-ZINC06030213

 MMsINC code: MMs03502666
Type: Neutral
Formula: C3H6Cl2O
SMILES:   ClC(C(Cl)O)C
InChI:   InChI=1/C3H6Cl2O/c1-2(4)3(5)6/h2-3,6H,1H3/t2-,3-/m0/s1

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Potential Energy
Epot(MMFF94)=12.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.986 g/mol  logS: -1.1265  SlogP: 2.0107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251287  Sterimol/B1: 2.53974  Sterimol/B2: 2.97457  Sterimol/B3: 3.57093
  Sterimol/B4: 4.08322  Sterimol/L: 8.17306 
 
 Surface and Volume Properties
  Accessible surface: 268.809  Positive charged surface: 118.406  Negative charged surface: 150.403  Volume: 102.75
  Hydrophobic surface: 86.0247  Hydrophilic surface: 182.7843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.