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APOLLO-ZINC04293673

 MMsINC code: MMs00058787
Type: Neutral
Formula: C14H25NO11
SMILES:   O1C(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C(NC(=O)C)C1O
InChI:   InChI=1/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7+,8-,9-,10+,11+,12+,13+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.35 g/mol  logS: 1.16025  SlogP: -5.2534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.425336  Sterimol/B1: 2.44735  Sterimol/B2: 3.0584  Sterimol/B3: 7.27956
  Sterimol/B4: 8.39975  Sterimol/L: 12.2959 
 
 Surface and Volume Properties
  Accessible surface: 543.545  Positive charged surface: 407.728  Negative charged surface: 135.817  Volume: 319.5
  Hydrophobic surface: 216.754  Hydrophilic surface: 326.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.