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PUBCHEM-ZINC05274025

 MMsINC code: MMs03229245
Type: Ionized
Formula: C10H19N2O4-
SMILES:   OC(C(N)C(=O)NC(CC(C)C)C(=O)[O-])C
InChI:   InChI=1/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/p-1/t6-,7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=41.7286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -1.39485  SlogP: -2.0247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12517  Sterimol/B1: 2.89179  Sterimol/B2: 2.97351  Sterimol/B3: 4.41624
  Sterimol/B4: 6.00232  Sterimol/L: 12.9635 
 
 Surface and Volume Properties
  Accessible surface: 447.386  Positive charged surface: 290.823  Negative charged surface: 156.563  Volume: 226.5
  Hydrophobic surface: 221.506  Hydrophilic surface: 225.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs03229244
PUBCHEM-ZINC05274025