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PUBCHEM-ZINC03643629

 MMsINC code: MMs03032268
Type: Neutral
Formula: C3H9O2PS
SMILES:   S(P(OC)(=O)C)C
InChI:   InChI=1/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.25194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.143 g/mol  logS: -0.46062  SlogP: 0.7485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922783  Sterimol/B1: 2.81934  Sterimol/B2: 3.04935  Sterimol/B3: 3.41127
  Sterimol/B4: 3.95332  Sterimol/L: 10.396 
 
 Surface and Volume Properties
  Accessible surface: 306.065  Positive charged surface: 183.722  Negative charged surface: 122.343  Volume: 123.875
  Hydrophobic surface: 204.615  Hydrophilic surface: 101.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.