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NCID-ZINC05338865

 MMsINC code: MMs02452061
Type: Ionized
Formula: C14H24N2O4-2
SMILES:   O=C([O-])C(N\C(=N/C(CC(C)C)C(=O)[O-])\C)CC(C)C
InChI:   InChI=1/C14H26N2O4/c1-8(2)6-11(13(17)18)15-10(5)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,16)(H,17,18)(H,19,20)/p-2/t11-,12+

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Potential Energy
Epot(MMFF94)=74.6928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -3.49666  SlogP: -0.6764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276062  Sterimol/B1: 2.40805  Sterimol/B2: 4.2517  Sterimol/B3: 6.01858
  Sterimol/B4: 7.1936  Sterimol/L: 12.4715 
 
 Surface and Volume Properties
  Accessible surface: 523.507  Positive charged surface: 311.71  Negative charged surface: 211.797  Volume: 290.25
  Hydrophobic surface: 296.95  Hydrophilic surface: 226.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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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Parent related molecule:


MMs02452060
NCID-ZINC05338865