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PUBCHEM-ZINC05998096

 MMsINC code: MMs03482118
Type: Neutral
Formula: C8H11O2PS
SMILES:   S=P(OC)(OC)c1ccccc1
InChI:   InChI=1/C8H11O2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.214 g/mol  logS: -2.68852  SlogP: 1.9142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21315  Sterimol/B1: 2.05651  Sterimol/B2: 2.36009  Sterimol/B3: 4.91833
  Sterimol/B4: 7.29096  Sterimol/L: 10.1811 
 
 Surface and Volume Properties
  Accessible surface: 381.289  Positive charged surface: 237.07  Negative charged surface: 144.219  Volume: 183.625
  Hydrophobic surface: 308.228  Hydrophilic surface: 73.061
 
 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.