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PUBCHEM-ZINC06068369

 MMsINC code: MMs03521277
Type: Neutral
Formula: C14H15O3PS
SMILES:   S(=O)(C)c1ccc(OP(=O)(C)c2ccccc2)cc1
InChI:   InChI=1/C14H15O3PS/c1-18(15,13-6-4-3-5-7-13)17-12-8-10-14(11-9-12)19(2)16/h3-11H,1-2H3/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=64.3239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.311 g/mol  logS: -3.17293  SlogP: 1.966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783349  Sterimol/B1: 2.02814  Sterimol/B2: 3.41918  Sterimol/B3: 4.28193
  Sterimol/B4: 5.59907  Sterimol/L: 16.9364 
 
 Surface and Volume Properties
  Accessible surface: 520.674  Positive charged surface: 285.46  Negative charged surface: 235.214  Volume: 267.375
  Hydrophobic surface: 423.462  Hydrophilic surface: 97.212
 
 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.