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PUBCHEM-ZINC05765207

 MMsINC code: MMs03378758
Type: Neutral
Formula: C10H15O5PS
SMILES:   S(=O)(C)c1ccc(OP(OC)(OC)=O)cc1C
InChI:   InChI=1/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3/t17-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.4718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.265 g/mol  logS: -2.01866  SlogP: 1.44192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896714  Sterimol/B1: 2.31677  Sterimol/B2: 2.77359  Sterimol/B3: 3.88897
  Sterimol/B4: 6.58885  Sterimol/L: 14.1336 
 
 Surface and Volume Properties
  Accessible surface: 477.622  Positive charged surface: 313.211  Negative charged surface: 164.411  Volume: 239
  Hydrophobic surface: 371.425  Hydrophilic surface: 106.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.