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PUBCHEM-ZINC04556612

 MMsINC code: MMs03133567
Type: Neutral
Formula: C12H24O11
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCC(O)C(O)C(O)C(O)CO
InChI:   InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6-,7-,8+,9-,10+,11+,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.313 g/mol  logS: 1.91747  SlogP: -5.7612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567308  Sterimol/B1: 3.12226  Sterimol/B2: 3.35656  Sterimol/B3: 3.65775
  Sterimol/B4: 6.90783  Sterimol/L: 17.9044 
 
 Surface and Volume Properties
  Accessible surface: 574.914  Positive charged surface: 438.13  Negative charged surface: 136.784  Volume: 291.125
  Hydrophobic surface: 215.736  Hydrophilic surface: 359.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.