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PUBCHEM-ZINC05998045

 MMsINC code: MMs03482077
Type: Neutral
Formula: C3H9O2PS
SMILES:   S=P(OC)(OC)C
InChI:   InChI=1/C3H9O2PS/c1-4-6(3,7)5-2/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.16365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.143 g/mol  logS: -0.86466  SlogP: 1.2185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124907  Sterimol/B1: 2.30642  Sterimol/B2: 2.50505  Sterimol/B3: 4.13286
  Sterimol/B4: 4.45754  Sterimol/L: 9.65381 
 
 Surface and Volume Properties
  Accessible surface: 303.23  Positive charged surface: 209.128  Negative charged surface: 94.102  Volume: 123.875
  Hydrophobic surface: 207.407  Hydrophilic surface: 95.823
 
 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.