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PUBCHEM-ZINC06563852

 MMsINC code: MMs03797911
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(C)C)CC(C)C
InChI:   InChI=1/C10H20N2O3/c1-6(2)5-8(9(13)14)12-10(15)11-7(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.83155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -2.07446  SlogP: -0.1414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117326  Sterimol/B1: 2.21016  Sterimol/B2: 3.11856  Sterimol/B3: 4.91972
  Sterimol/B4: 6.51971  Sterimol/L: 12.5247 
 
 Surface and Volume Properties
  Accessible surface: 456.326  Positive charged surface: 299.845  Negative charged surface: 156.481  Volume: 218.5
  Hydrophobic surface: 251.703  Hydrophilic surface: 204.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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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MMs03797910
PUBCHEM-ZINC06563852