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PUBCHEM-ZINC03643628

 MMsINC code: MMs03032267
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.25459 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: 0.0922786  Sterimol/B1: 2.81899  Sterimol/B2: 3.04966  Sterimol/B3: 3.4108
  Sterimol/B4: 3.95331  Sterimol/L: 10.396 
 
 Surface and Volume Properties
  Accessible surface: 306.783  Positive charged surface: 183.599  Negative charged surface: 123.183  Volume: 124
  Hydrophobic surface: 204.931  Hydrophilic surface: 101.852
 
 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.