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IBS-ZINC02424081

 MMsINC code: MMs01859472
Type: Ionized
Formula: C10H19N2O4-
SMILES:   O(CCNC(=O)NC(CC(C)C)C(=O)[O-])C
InChI:   InChI=1/C10H20N2O4/c1-7(2)6-8(9(13)14)12-10(15)11-4-5-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=6.18942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -1.56268  SlogP: -0.9034  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0973982  Sterimol/B1: 2.56015  Sterimol/B2: 2.56348  Sterimol/B3: 4.29667
  Sterimol/B4: 6.59156  Sterimol/L: 14.1405 
 
 Surface and Volume Properties
  Accessible surface: 478.417  Positive charged surface: 352.373  Negative charged surface: 126.044  Volume: 228.875
  Hydrophobic surface: 303.574  Hydrophilic surface: 174.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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MMs01859471
IBS-ZINC02424081