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NCID-ZINC01711230

 MMsINC code: MMs02338302
Type: Neutral
Formula: C8H16Cl3O4P
SMILES:   ClC(Cl)(Cl)C(P(OC(C)C)(OC(C)C)=O)O
InChI:   InChI=1/C8H16Cl3O4P/c1-5(2)14-16(13,15-6(3)4)7(12)8(9,10)11/h5-7,12H,1-4H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=42.9014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.545 g/mol  logS: -3.00617  SlogP: 3.0678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.329368  Sterimol/B1: 2.78053  Sterimol/B2: 3.0682  Sterimol/B3: 5.10115
  Sterimol/B4: 7.83681  Sterimol/L: 10.9276 
 
 Surface and Volume Properties
  Accessible surface: 461.774  Positive charged surface: 216.055  Negative charged surface: 245.719  Volume: 248.875
  Hydrophobic surface: 198.588  Hydrophilic surface: 263.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.