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PUBCHEM-ZINC05860351

 MMsINC code: MMs03421759
Type: Neutral
Formula: C10H15O2PS
SMILES:   S=P(OCC)(OCC)c1ccccc1
InChI:   InChI=1/C10H15O2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.2582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.268 g/mol  logS: -3.34294  SlogP: 2.6944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196429  Sterimol/B1: 2.43588  Sterimol/B2: 2.88596  Sterimol/B3: 5.46156
  Sterimol/B4: 8.78735  Sterimol/L: 12.0211 
 
 Surface and Volume Properties
  Accessible surface: 452.072  Positive charged surface: 267.897  Negative charged surface: 184.175  Volume: 221.875
  Hydrophobic surface: 338.835  Hydrophilic surface: 113.237
 
 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.