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NCID-ZINC05850575

 MMsINC code: MMs02507768
Type: Neutral
Formula: C14H19N3O7
SMILES:   O1C(CN(OC(=O)C)CC1N1C=C(C)C(=O)NC1=O)COC(=O)C
InChI:   InChI=1/C14H19N3O7/c1-8-4-17(14(21)15-13(8)20)12-6-16(24-10(3)19)5-11(23-12)7-22-9(2)18/h4,11-12H,5-7H2,1-3H3,(H,15,20,21)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=59.82 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.32 g/mol  logS: -1.10015  SlogP: -0.4899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789091  Sterimol/B1: 2.20324  Sterimol/B2: 4.14986  Sterimol/B3: 4.22308
  Sterimol/B4: 9.62343  Sterimol/L: 14.3324 
 
 Surface and Volume Properties
  Accessible surface: 594.978  Positive charged surface: 379.508  Negative charged surface: 215.47  Volume: 297
  Hydrophobic surface: 398.225  Hydrophilic surface: 196.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.