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PUBCHEM-ZINC04566980

 MMsINC code: MMs03135403
Type: Neutral
Formula: C8H19O3PS
SMILES:   SP(OC(CC)C)(OC(CC)C)=O
InChI:   InChI=1/C8H19O3PS/c1-5-7(3)10-12(9,13)11-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,9,13)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.25394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.277 g/mol  logS: -2.42414  SlogP: 2.5843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738435  Sterimol/B1: 2.50024  Sterimol/B2: 3.14123  Sterimol/B3: 3.5777
  Sterimol/B4: 5.97182  Sterimol/L: 12.1216 
 
 Surface and Volume Properties
  Accessible surface: 437.747  Positive charged surface: 281.93  Negative charged surface: 155.817  Volume: 219.25
  Hydrophobic surface: 291.474  Hydrophilic surface: 146.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.