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PUBCHEM-ZINC03643261

 MMsINC code: MMs03032159
Type: Neutral
Formula: C7H17O2PS
SMILES:   S(P(OCCC)(=O)C)CCC
InChI:   InChI=1/C7H17O2PS/c1-4-6-9-10(3,8)11-7-5-2/h4-7H2,1-3H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.54342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.251 g/mol  logS: -1.51858  SlogP: 2.3089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624588  Sterimol/B1: 2.54405  Sterimol/B2: 2.97303  Sterimol/B3: 4.21933
  Sterimol/B4: 4.30294  Sterimol/L: 14.4805 
 
 Surface and Volume Properties
  Accessible surface: 425.759  Positive charged surface: 282.533  Negative charged surface: 143.226  Volume: 195.125
  Hydrophobic surface: 293.407  Hydrophilic surface: 132.352
 
 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.