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CHEMBRIDGE-ZINC00300849

 MMsINC code: MMs00603876
Type: Neutral
Formula: C10H15O2PS
SMILES:   S=P(COC)(COC)c1ccccc1
InChI:   InChI=1/C10H15O2PS/c1-11-8-13(14,9-12-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.268 g/mol  logS: -1.87568  SlogP: 1.9992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192846  Sterimol/B1: 3.12078  Sterimol/B2: 4.01597  Sterimol/B3: 4.23327
  Sterimol/B4: 5.17317  Sterimol/L: 12.5544 
 
 Surface and Volume Properties
  Accessible surface: 414.302  Positive charged surface: 278.725  Negative charged surface: 135.577  Volume: 218.625
  Hydrophobic surface: 347.28  Hydrophilic surface: 67.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.