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NCID-ZINC01757080

 MMsINC code: MMs02365224
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-/m0/s1

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Potential Energy
Epot(MMFF94)=75.527 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: 0.241522  Sterimol/B1: 2.12672  Sterimol/B2: 2.75738  Sterimol/B3: 5.65002
  Sterimol/B4: 8.37823  Sterimol/L: 12.5062 
 
 Surface and Volume Properties
  Accessible surface: 513.866  Positive charged surface: 294.432  Negative charged surface: 219.433  Volume: 287.625
  Hydrophobic surface: 275.621  Hydrophilic surface: 238.245
 
 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:


MMs02365223
NCID-ZINC01757080