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PUBCHEM-ZINC06580904

 MMsINC code: MMs03807352
Type: Neutral
Formula: C15H16ClO3P
SMILES:   ClCCOP(Oc1ccccc1)(=O)Cc1ccccc1
InChI:   InChI=1/C15H16ClO3P/c16-11-12-18-20(17,13-14-7-3-1-4-8-14)19-15-9-5-2-6-10-15/h1-10H,11-13H2/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=56.9592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.717 g/mol  logS: -3.84664  SlogP: 3.9103  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.140438  Sterimol/B1: 2.62556  Sterimol/B2: 2.85319  Sterimol/B3: 4.35146
  Sterimol/B4: 9.00128  Sterimol/L: 13.6105 
 
 Surface and Volume Properties
  Accessible surface: 539.201  Positive charged surface: 295.617  Negative charged surface: 243.585  Volume: 285.875
  Hydrophobic surface: 449.798  Hydrophilic surface: 89.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.