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PUBCHEM-ZINC05830045

 MMsINC code: MMs03404932
Type: Neutral
Formula: C7H15O8P
SMILES:   P(O)(O)(=O)CC1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.163 g/mol  logS: 1.59766  SlogP: -4.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199141  Sterimol/B1: 2.84996  Sterimol/B2: 2.90974  Sterimol/B3: 3.47817
  Sterimol/B4: 7.44252  Sterimol/L: 10.879 
 
 Surface and Volume Properties
  Accessible surface: 406.455  Positive charged surface: 270.831  Negative charged surface: 135.623  Volume: 200.25
  Hydrophobic surface: 117.565  Hydrophilic surface: 288.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.