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PUBCHEM-ZINC03869511

 MMsINC code: MMs03078605
Type: Neutral
Formula: C6H11O8P
SMILES:   P1(OC2C(O1)C(O)C(O)C(O)C2O)(O)=O
InChI:   InChI=1/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2+,3-,4+,5-,6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.12 g/mol  logS: 0.99172  SlogP: -3.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197332  Sterimol/B1: 2.68976  Sterimol/B2: 3.337  Sterimol/B3: 3.8202
  Sterimol/B4: 5.26181  Sterimol/L: 11.1069 
 
 Surface and Volume Properties
  Accessible surface: 372.723  Positive charged surface: 227.249  Negative charged surface: 145.475  Volume: 169.375
  Hydrophobic surface: 84.6613  Hydrophilic surface: 288.0617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03078606
PUBCHEM-ZINC03869511