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PUBCHEM-ZINC02033887

 MMsINC code: MMs02860272
Type: Neutral
Formula: C10H15O4PS
SMILES:   S(C)c1ccc(OP(OC)(OC)=O)cc1C
InChI:   InChI=1/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.266 g/mol  logS: -2.74989  SlogP: 2.42642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411454  Sterimol/B1: 2.2492  Sterimol/B2: 2.6744  Sterimol/B3: 3.11519
  Sterimol/B4: 7.26124  Sterimol/L: 14.5226 
 
 Surface and Volume Properties
  Accessible surface: 469.574  Positive charged surface: 299.556  Negative charged surface: 170.019  Volume: 232.25
  Hydrophobic surface: 379.383  Hydrophilic surface: 90.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.