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PUBCHEM-ZINC01532623

 MMsINC code: MMs02813673
Type: Ionized
Formula: C6H10O10P-3
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3-,4+,5-/m1/s1

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Potential Energy
Epot(MMFF94)=35.4913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.11 g/mol  logS: 1.23525  SlogP: -7.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718352  Sterimol/B1: 2.85778  Sterimol/B2: 3.0622  Sterimol/B3: 3.64211
  Sterimol/B4: 3.91902  Sterimol/L: 14.4081 
 
 Surface and Volume Properties
  Accessible surface: 416.531  Positive charged surface: 171.952  Negative charged surface: 244.579  Volume: 190.625
  Hydrophobic surface: 81.9019  Hydrophilic surface: 334.6291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 5  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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MMs02813672
PUBCHEM-ZINC01532623