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PUBCHEM-ZINC03608198

 MMsINC code: MMs03020857
Type: Neutral
Formula: C7H13Cl2O4P
SMILES:   ClC(Cl)=COP(OC(CC)C)(OC)=O
InChI:   InChI=1/C7H13Cl2O4P/c1-4-6(2)13-14(10,11-3)12-5-7(8)9/h5-6H,4H2,1-3H3/t6-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=9.45374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.057 g/mol  logS: -2.52499  SlogP: 2.8878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251605  Sterimol/B1: 2.30995  Sterimol/B2: 4.37379  Sterimol/B3: 5.30698
  Sterimol/B4: 5.32572  Sterimol/L: 12.6634 
 
 Surface and Volume Properties
  Accessible surface: 458.978  Positive charged surface: 237.159  Negative charged surface: 221.819  Volume: 216.25
  Hydrophobic surface: 377.15  Hydrophilic surface: 81.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.