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IBS-ZINC03882973

 MMsINC code: MMs01872034
Type: Ionized
Formula: C14H23N2O5-
SMILES:   O=C(NC(CC(=O)NC(=O)C(C)(C)C)C(=O)[O-])C(C)(C)C
InChI:   InChI=1/C14H24N2O5/c1-13(2,3)11(20)15-8(10(18)19)7-9(17)16-12(21)14(4,5)6/h8H,7H2,1-6H3,(H,15,20)(H,18,19)(H,16,17,21)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=26.4304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.347 g/mol  logS: -1.68654  SlogP: -0.6538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148248  Sterimol/B1: 2.2821  Sterimol/B2: 3.21183  Sterimol/B3: 4.09342
  Sterimol/B4: 8.96074  Sterimol/L: 12.6928 
 
 Surface and Volume Properties
  Accessible surface: 524.776  Positive charged surface: 315.348  Negative charged surface: 209.428  Volume: 292.125
  Hydrophobic surface: 286.188  Hydrophilic surface: 238.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs01872033
IBS-ZINC03882973