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PUBCHEM-ZINC03643342

 MMsINC code: MMs03032181
Type: Neutral
Formula: C4H11O2PS
SMILES:   S(P(OC)(=O)CC)C
InChI:   InChI=1/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.43524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -0.78783  SlogP: 1.1386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142894  Sterimol/B1: 2.47843  Sterimol/B2: 3.13475  Sterimol/B3: 3.25882
  Sterimol/B4: 5.552  Sterimol/L: 10.394 
 
 Surface and Volume Properties
  Accessible surface: 327.859  Positive charged surface: 198.152  Negative charged surface: 129.707  Volume: 143.375
  Hydrophobic surface: 227.892  Hydrophilic surface: 99.967
 
 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.