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PUBCHEM-ZINC05131838

 MMsINC code: MMs03206740
Type: Neutral
Formula: C6H13ClO5
SMILES:   ClCC(O)C(O)C(O)C(O)CO
InChI:   InChI=1/C6H13ClO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2/t3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=71.7012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.618 g/mol  logS: 0.65688  SlogP: -2.3389  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115006  Sterimol/B1: 3.08454  Sterimol/B2: 3.12973  Sterimol/B3: 3.21638
  Sterimol/B4: 3.68668  Sterimol/L: 13.0096 
 
 Surface and Volume Properties
  Accessible surface: 370.223  Positive charged surface: 225.298  Negative charged surface: 144.925  Volume: 167.5
  Hydrophobic surface: 125.239  Hydrophilic surface: 244.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.