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NCID-ZINC05732825

 MMsINC code: MMs02491741
Type: Neutral
Formula: C17H25NO10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(N(C(=O)C)C)C1OC(=O)C
InChI:   InChI=1/C17H25NO10/c1-8(19)18(6)14-16(26-11(4)22)15(25-10(3)21)13(7-24-9(2)20)28-17(14)27-12(5)23/h13-17H,7H2,1-6H3/t13-,14-,15+,16-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=72.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.384 g/mol  logS: -1.49881  SlogP: -0.4522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187991  Sterimol/B1: 4.21578  Sterimol/B2: 4.63026  Sterimol/B3: 5.69814
  Sterimol/B4: 7.73684  Sterimol/L: 15.3165 
 
 Surface and Volume Properties
  Accessible surface: 682.232  Positive charged surface: 421.757  Negative charged surface: 260.475  Volume: 360
  Hydrophobic surface: 512.386  Hydrophilic surface: 169.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.