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NCID-ZINC05464319

 MMsINC code: MMs02464664
Type: Neutral
Formula: C12H22O9
SMILES:   O1C(C)C(O)C(O)C(O)C1OC(C(O)C(O)C(O)C)C=O
InChI:   InChI=1/C12H22O9/c1-4(14)7(15)9(17)6(3-13)21-12-11(19)10(18)8(16)5(2)20-12/h3-12,14-19H,1-2H3/t4-,5-,6+,7-,8-,9+,10+,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=120.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.299 g/mol  logS: 0.62288  SlogP: -3.4994  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0820985  Sterimol/B1: 2.77302  Sterimol/B2: 3.11586  Sterimol/B3: 4.11731
  Sterimol/B4: 6.9317  Sterimol/L: 14.4718 
 
 Surface and Volume Properties
  Accessible surface: 513.315  Positive charged surface: 366.006  Negative charged surface: 147.309  Volume: 269.75
  Hydrophobic surface: 221.835  Hydrophilic surface: 291.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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.