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PUBCHEM-ZINC05820235

 MMsINC code: MMs03399253
Type: Neutral
Formula: C12H25O8P
SMILES:   P(OCC(COC(=O)CCCCCC)(CO)CO)(O)(O)=O
InChI:   InChI=1/C12H25O8P/c1-2-3-4-5-6-11(15)19-9-12(7-13,8-14)10-20-21(16,17)18/h13-14H,2-10H2,1H3,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=-50.4555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.298 g/mol  logS: -1.39957  SlogP: -0.4899  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0404428  Sterimol/B1: 3.02936  Sterimol/B2: 3.83186  Sterimol/B3: 4.2137
  Sterimol/B4: 4.83677  Sterimol/L: 20.708 
 
 Surface and Volume Properties
  Accessible surface: 611.798  Positive charged surface: 447.639  Negative charged surface: 164.159  Volume: 295.25
  Hydrophobic surface: 331.576  Hydrophilic surface: 280.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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


MMs03399254
PUBCHEM-ZINC05820235