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PUBCHEM-ZINC02040944

 MMsINC code: MMs02862967
Type: Neutral
Formula: C3H9O3PS
SMILES:   S(P(OC)(OC)=O)C
InChI:   InChI=1/C3H9O3PS/c1-5-7(4,6-2)8-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.142 g/mol  logS: -0.71518  SlogP: 0.6801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109084  Sterimol/B1: 2.3237  Sterimol/B2: 2.76881  Sterimol/B3: 3.44351
  Sterimol/B4: 6.48774  Sterimol/L: 9.88252 
 
 Surface and Volume Properties
  Accessible surface: 332.069  Positive charged surface: 230.97  Negative charged surface: 101.099  Volume: 131.625
  Hydrophobic surface: 254.784  Hydrophilic surface: 77.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.