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PUBCHEM-ZINC04557024

 MMsINC code: MMs03133737
Type: Neutral
Formula: C13H24O11
SMILES:   O1C(CO)C(O)C(O)C(OC)C1OC(C(O)C(O)C=O)C(O)CO
InChI:   InChI=1/C13H24O11/c1-22-12-10(21)9(20)7(4-16)23-13(12)24-11(6(18)3-15)8(19)5(17)2-14/h2,5-13,15-21H,3-4H2,1H3/t5-,6-,7+,8-,9-,10+,11+,12+,13-/m1/s1

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Potential Energy
Epot(MMFF94)=148.103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.324 g/mol  logS: 1.3372  SlogP: -4.9005  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.383159  Sterimol/B1: 2.44445  Sterimol/B2: 2.53606  Sterimol/B3: 6.72312
  Sterimol/B4: 7.68163  Sterimol/L: 11.7347 
 
 Surface and Volume Properties
  Accessible surface: 543.037  Positive charged surface: 405.353  Negative charged surface: 137.685  Volume: 300.875
  Hydrophobic surface: 217.406  Hydrophilic surface: 325.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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.