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PUBCHEM-ZINC05998415

 MMsINC code: MMs03482455
Type: Neutral
Formula: C8H11O2PS
SMILES:   S(P(OC)(=O)c1ccccc1)C
InChI:   InChI=1/C8H11O2PS/c1-10-11(9,12-2)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.214 g/mol  logS: -2.28448  SlogP: 1.4442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749157  Sterimol/B1: 2.49897  Sterimol/B2: 2.51997  Sterimol/B3: 4.34461
  Sterimol/B4: 5.98412  Sterimol/L: 11.1573 
 
 Surface and Volume Properties
  Accessible surface: 385.819  Positive charged surface: 201.508  Negative charged surface: 184.311  Volume: 183.75
  Hydrophobic surface: 311.159  Hydrophilic surface: 74.66
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.