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NCID-ZINC05328626

 MMsINC code: MMs02451641
Type: Neutral
Formula: C23H23Cl2O3P
SMILES:   ClCCOP(OCCCl)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H23Cl2O3P/c24-16-18-27-29(26,28-19-17-25)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2

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Potential Energy
Epot(MMFF94)=147.088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.314 g/mol  logS: -6.44564  SlogP: 5.9237  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.57097  Sterimol/B1: 2.54089  Sterimol/B2: 5.97243  Sterimol/B3: 6.52504
  Sterimol/B4: 8.60674  Sterimol/L: 11.9988 
 
 Surface and Volume Properties
  Accessible surface: 649.567  Positive charged surface: 352.965  Negative charged surface: 296.602  Volume: 409.375
  Hydrophobic surface: 520.223  Hydrophilic surface: 129.344
 
 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.