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PUBCHEM-ZINC06468499

 MMsINC code: MMs03750130
Type: Neutral
Formula: C12H22O10
SMILES:   O1C(C)C(O)C(O)C(O)C1OC1C(O)C(OC(O)C1O)CO
InChI:   InChI=1/C12H22O10/c1-3-5(14)7(16)8(17)12(20-3)22-10-6(15)4(2-13)21-11(19)9(10)18/h3-19H,2H2,1H3/t3-,4+,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)=129.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.298 g/mol  logS: 1.01297  SlogP: -4.3696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0865253  Sterimol/B1: 2.49454  Sterimol/B2: 2.92542  Sterimol/B3: 4.05474
  Sterimol/B4: 6.92663  Sterimol/L: 15.1365 
 
 Surface and Volume Properties
  Accessible surface: 529.019  Positive charged surface: 399.969  Negative charged surface: 129.05  Volume: 270.75
  Hydrophobic surface: 211.39  Hydrophilic surface: 317.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.