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PUBCHEM-ZINC05761015

 MMsINC code: MMs03374246
Type: Neutral
Formula: C15H15Cl2O3P
SMILES:   Clc1ccc(OP(Oc2ccc(Cl)cc2)(=O)C(C)C)cc1
InChI:   InChI=1/C15H15Cl2O3P/c1-11(2)21(18,19-14-7-3-12(16)4-8-14)20-15-9-5-13(17)6-10-15/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=52.3842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.162 g/mol  logS: -5.13854  SlogP: 4.9825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171156  Sterimol/B1: 2.52612  Sterimol/B2: 2.58702  Sterimol/B3: 4.90561
  Sterimol/B4: 8.62066  Sterimol/L: 14.7766 
 
 Surface and Volume Properties
  Accessible surface: 549.271  Positive charged surface: 248.279  Negative charged surface: 300.991  Volume: 298.125
  Hydrophobic surface: 494.551  Hydrophilic surface: 54.72
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.