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PUBCHEM-ZINC02000523

 MMsINC code: MMs02842835
Type: Neutral
Formula: C4H8Cl2O2
SMILES:   ClC(C(Cl)CO)CO
InChI:   InChI=1/C4H8Cl2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2/t3-,4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.012 g/mol  logS: -0.71602  SlogP: 1.0256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180483  Sterimol/B1: 2.83821  Sterimol/B2: 3.085  Sterimol/B3: 3.94267
  Sterimol/B4: 4.46815  Sterimol/L: 8.86486 
 
 Surface and Volume Properties
  Accessible surface: 303.478  Positive charged surface: 176.281  Negative charged surface: 127.197  Volume: 127
  Hydrophobic surface: 110.055  Hydrophilic surface: 193.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.