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PUBCHEM-ZINC06070958

 MMsINC code: MMs03523791
Type: Neutral
Formula: C16H17Cl2O3P
SMILES:   ClC(Cl)(P(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)=O)C
InChI:   InChI=1/C16H17Cl2O3P/c1-12-4-8-14(9-5-12)20-22(19,16(3,17)18)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3

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Potential Energy
Epot(MMFF94)=84.8887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.189 g/mol  logS: -5.93307  SlogP: 5.45534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109923  Sterimol/B1: 3.12788  Sterimol/B2: 3.4104  Sterimol/B3: 4.48221
  Sterimol/B4: 8.59353  Sterimol/L: 14.2901 
 
 Surface and Volume Properties
  Accessible surface: 558.81  Positive charged surface: 282.759  Negative charged surface: 276.051  Volume: 316.5
  Hydrophobic surface: 430.126  Hydrophilic surface: 128.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.