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PUBCHEM-ZINC05836234

 MMsINC code: MMs03408146
Type: Neutral
Formula: C15H15Cl2O2PS
SMILES:   Clc1ccc(Cl)cc1OP(=S)(OCCC)c1ccccc1
InChI:   InChI=1/C15H15Cl2O2PS/c1-2-10-18-20(21,13-6-4-3-5-7-13)19-15-11-12(16)8-9-14(15)17/h3-9,11H,2,10H2,1H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=70.2296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.229 g/mol  logS: -6.38816  SlogP: 5.4338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928267  Sterimol/B1: 3.53655  Sterimol/B2: 4.03073  Sterimol/B3: 5.02339
  Sterimol/B4: 7.27193  Sterimol/L: 14.992 
 
 Surface and Volume Properties
  Accessible surface: 560.474  Positive charged surface: 255.748  Negative charged surface: 304.726  Volume: 308.625
  Hydrophobic surface: 485.738  Hydrophilic surface: 74.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.