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PUBCHEM-ZINC03608194

 MMsINC code: MMs03020854
Type: Neutral
Formula: C8H15Cl2O4P
SMILES:   ClC(Cl)=COP(OCCCCC)(OC)=O
InChI:   InChI=1/C8H15Cl2O4P/c1-3-4-5-6-13-15(11,12-2)14-7-8(9)10/h7H,3-6H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=6.32672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.084 g/mol  logS: -3.22822  SlogP: 3.2795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576143  Sterimol/B1: 3.68062  Sterimol/B2: 4.00173  Sterimol/B3: 4.11274
  Sterimol/B4: 4.82245  Sterimol/L: 17.0184 
 
 Surface and Volume Properties
  Accessible surface: 509.515  Positive charged surface: 274.745  Negative charged surface: 234.769  Volume: 233.625
  Hydrophobic surface: 427.379  Hydrophilic surface: 82.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.