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PUBCHEM-ZINC03869779

 MMsINC code: MMs03078894
Type: Neutral
Formula: C6H11O9P
SMILES:   P(OCC1OC(=O)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=-15.0638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 0.87503  SlogP: -3.9664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875455  Sterimol/B1: 3.0287  Sterimol/B2: 3.70869  Sterimol/B3: 3.97231
  Sterimol/B4: 4.86031  Sterimol/L: 12.722 
 
 Surface and Volume Properties
  Accessible surface: 421.204  Positive charged surface: 250.727  Negative charged surface: 170.477  Volume: 184.75
  Hydrophobic surface: 87.1722  Hydrophilic surface: 334.0318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03078895
PUBCHEM-ZINC03869779