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ACROSORGANICS-ZINC02034404

 MMsINC code: MMs00012521
Type: Neutral
Formula: C3H6Cl2O
SMILES:   ClC(CO)CCl
InChI:   InChI=1/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.2189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.986 g/mol  logS: -0.91856  SlogP: 1.2448  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.209469  Sterimol/B1: 2.62144  Sterimol/B2: 3.00258  Sterimol/B3: 3.37962
  Sterimol/B4: 3.77944  Sterimol/L: 8.74242 
 
 Surface and Volume Properties
  Accessible surface: 274.301  Positive charged surface: 132.58  Negative charged surface: 141.721  Volume: 103.25
  Hydrophobic surface: 99.0795  Hydrophilic surface: 175.2215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.