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DSC-ZINC04352619

 MMsINC code: MMs01221835
Type: Neutral
Formula: C11H17O4PS
SMILES:   S(=O)(=O)(CP(OCC)OCC)c1ccccc1
InChI:   InChI=1/C11H17O4PS/c1-3-14-16(15-4-2)10-17(12,13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.9141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.293 g/mol  logS: -2.05581  SlogP: 2.8027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.187121  Sterimol/B1: 2.18997  Sterimol/B2: 4.07683  Sterimol/B3: 4.51319
  Sterimol/B4: 8.96067  Sterimol/L: 12.0813 
 
 Surface and Volume Properties
  Accessible surface: 502.299  Positive charged surface: 322.332  Negative charged surface: 179.967  Volume: 252.125
  Hydrophobic surface: 399.843  Hydrophilic surface: 102.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.