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IBS-ZINC02420311

 MMsINC code: MMs01858236
Type: Ionized
Formula: C10H19N2O4-
SMILES:   O(CCCNC(=O)NC(C(C)C)C(=O)[O-])C
InChI:   InChI=1/C10H20N2O4/c1-7(2)8(9(13)14)12-10(15)11-5-4-6-16-3/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)=-0.507716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -0.93578  SlogP: -0.9034  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0747065  Sterimol/B1: 2.51305  Sterimol/B2: 2.64298  Sterimol/B3: 4.0917
  Sterimol/B4: 5.9444  Sterimol/L: 15.075 
 
 Surface and Volume Properties
  Accessible surface: 478.61  Positive charged surface: 349.439  Negative charged surface: 129.17  Volume: 229.125
  Hydrophobic surface: 303.103  Hydrophilic surface: 175.507
 
 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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MMs01858235
IBS-ZINC02420311