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PUBCHEM-ZINC05463182

 MMsINC code: MMs03276953
Type: Neutral
Formula: C8H17O6P
SMILES:   P(OCC1OC(OC1)(C)C)(OCC)(O)=O
InChI:   InChI=1/C8H17O6P/c1-4-12-15(9,10)13-6-7-5-11-8(2,3)14-7/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.3473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.192 g/mol  logS: -0.99247  SlogP: 0.2212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089732  Sterimol/B1: 2.64222  Sterimol/B2: 2.99335  Sterimol/B3: 3.94265
  Sterimol/B4: 5.40575  Sterimol/L: 14.606 
 
 Surface and Volume Properties
  Accessible surface: 473.76  Positive charged surface: 329.245  Negative charged surface: 144.514  Volume: 210.25
  Hydrophobic surface: 297.139  Hydrophilic surface: 176.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs03276954
PUBCHEM-ZINC05463182