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NCID-ZINC01694639

 MMsINC code: MMs02325807
Type: Neutral
Formula: C12H16Cl3O4P
SMILES:   Clc1cc(Cl)c(Cl)cc1OCCP(OCC)(OCC)=O
InChI:   InChI=1/C12H16Cl3O4P/c1-3-18-20(16,19-4-2)6-5-17-12-8-10(14)9(13)7-11(12)15/h7-8H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=32.2388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.589 g/mol  logS: -4.31339  SlogP: 4.2215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492927  Sterimol/B1: 2.22937  Sterimol/B2: 2.70481  Sterimol/B3: 4.62576
  Sterimol/B4: 8.05867  Sterimol/L: 17.2926 
 
 Surface and Volume Properties
  Accessible surface: 599.671  Positive charged surface: 294.95  Negative charged surface: 304.721  Volume: 296.25
  Hydrophobic surface: 516.385  Hydrophilic surface: 83.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.