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NCID-ZINC05045854

 MMsINC code: MMs02431343
Type: Neutral
Formula: C18H26N2O11
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)N(C(=O)C)C)C1OC(=O)
C
InChI:   InChI=1/C18H26N2O11/c1-8(21)20(6)18(26)19-14-16(29-11(4)24)15(28-10(3)23)13(7-27-9(2)22)31-17(14)30-12(5)25/h13-17H,7H2,1-6H3,(H,19,26)/t13-,14-,15+,16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.409 g/mol  logS: -1.72734  SlogP: -0.7426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130638  Sterimol/B1: 4.41688  Sterimol/B2: 4.57571  Sterimol/B3: 5.61371
  Sterimol/B4: 8.35161  Sterimol/L: 17.4065 
 
 Surface and Volume Properties
  Accessible surface: 729.421  Positive charged surface: 460.916  Negative charged surface: 268.505  Volume: 390.25
  Hydrophobic surface: 531.627  Hydrophilic surface: 197.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.