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ACROSORGANICS-ZINC02039260

 MMsINC code: MMs00012633
Type: Neutral
Formula: C3HCl5O
SMILES:   ClC(Cl)(Cl)C(=O)C(Cl)Cl
InChI:   InChI=1/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H

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Potential Energy
Epot(MMFF94)=45.3796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.305 g/mol  logS: -3.74094  SlogP: 3.5692  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.265678  Sterimol/B1: 3.3798  Sterimol/B2: 3.63121  Sterimol/B3: 3.68614
  Sterimol/B4: 3.71314  Sterimol/L: 9.37195 
 
 Surface and Volume Properties
  Accessible surface: 318.663  Positive charged surface: 22.9001  Negative charged surface: 295.763  Volume: 140.25
  Hydrophobic surface: 16.5096  Hydrophilic surface: 302.1534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.