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PUBCHEM-ZINC05821459

 MMsINC code: MMs03400501
Type: Neutral
Formula: C8H19O6P
SMILES:   P(OCCOCCOCCCC)(O)(O)=O
InChI:   InChI=1/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-47.8861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.208 g/mol  logS: -0.50506  SlogP: -0.1412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769327  Sterimol/B1: 2.60256  Sterimol/B2: 3.05594  Sterimol/B3: 4.24246
  Sterimol/B4: 6.17412  Sterimol/L: 15.5973 
 
 Surface and Volume Properties
  Accessible surface: 516.137  Positive charged surface: 386.432  Negative charged surface: 129.705  Volume: 221.375
  Hydrophobic surface: 332.052  Hydrophilic surface: 184.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs03400502
PUBCHEM-ZINC05821459