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DSC-ZINC00155868

 MMsINC code: MMs01221646
Type: Neutral
Formula: C5H13O2PS
SMILES:   S=P(OCC)(OCC)C
InChI:   InChI=1/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.65079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.197 g/mol  logS: -1.51908  SlogP: 1.9987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922183  Sterimol/B1: 2.39681  Sterimol/B2: 2.78248  Sterimol/B3: 4.81911
  Sterimol/B4: 5.15554  Sterimol/L: 12.2687 
 
 Surface and Volume Properties
  Accessible surface: 371.542  Positive charged surface: 235.992  Negative charged surface: 135.549  Volume: 159.875
  Hydrophobic surface: 234.179  Hydrophilic surface: 137.363
 
 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.