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PUBCHEM-ZINC04545842

 MMsINC code: MMs03131783
Type: Neutral
Formula: C11H20O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(C(O)CO)C(O)C=O
InChI:   InChI=1/C11H20O10/c12-1-4(15)10(5(16)2-13)21-11-9(19)8(18)7(17)6(3-14)20-11/h1,4-11,13-19H,2-3H2/t4-,5-,6+,7+,8+,9+,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=126.314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.271 g/mol  logS: 1.47984  SlogP: -4.9155  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.322909  Sterimol/B1: 2.40441  Sterimol/B2: 4.0639  Sterimol/B3: 5.28755
  Sterimol/B4: 6.2269  Sterimol/L: 11.5058 
 
 Surface and Volume Properties
  Accessible surface: 473.622  Positive charged surface: 336.432  Negative charged surface: 137.19  Volume: 257.875
  Hydrophobic surface: 141.862  Hydrophilic surface: 331.76
 
 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


MMs03131784
PUBCHEM-ZINC04545842