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PUBCHEM-ZINC03869780

 MMsINC code: MMs03078896
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-10.4263 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: 0.0937006  Sterimol/B1: 2.99505  Sterimol/B2: 3.18147  Sterimol/B3: 3.64199
  Sterimol/B4: 5.05477  Sterimol/L: 12.867 
 
 Surface and Volume Properties
  Accessible surface: 425.722  Positive charged surface: 247.702  Negative charged surface: 178.02  Volume: 183.75
  Hydrophobic surface: 85.2853  Hydrophilic surface: 340.4367
 
 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


MMs03078897
PUBCHEM-ZINC03869780