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PUBCHEM-ZINC05426402

 MMsINC code: MMs03267054
Type: Neutral
Formula: C11H20O10
SMILES:   O1C(OC2OCC(O)C(O)C2O)(CO)C(O)C(O)C1CO
InChI:   InChI=1/C11H20O10/c12-1-5-7(16)9(18)11(3-13,20-5)21-10-8(17)6(15)4(14)2-19-10/h4-10,12-18H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.271 g/mol  logS: 1.16495  SlogP: -4.7565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312565  Sterimol/B1: 4.09055  Sterimol/B2: 4.44471  Sterimol/B3: 4.63988
  Sterimol/B4: 5.63581  Sterimol/L: 11.6699 
 
 Surface and Volume Properties
  Accessible surface: 489.373  Positive charged surface: 380.423  Negative charged surface: 108.949  Volume: 254.25
  Hydrophobic surface: 176.608  Hydrophilic surface: 312.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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


MMs03267055
PUBCHEM-ZINC05426402