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NCID-ZINC01729793

 MMsINC code: MMs02352930
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C1N(CC(=O)[O-])C(NC1CC(C)C)(C)C
InChI:   InChI=1/C11H20N2O3/c1-7(2)5-8-10(16)13(6-9(14)15)11(3,4)12-8/h7-8,12H,5-6H2,1-4H3,(H,14,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=30.9454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -2.09899  SlogP: -0.6811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198293  Sterimol/B1: 2.40315  Sterimol/B2: 3.83159  Sterimol/B3: 4.71985
  Sterimol/B4: 4.77071  Sterimol/L: 12.1761 
 
 Surface and Volume Properties
  Accessible surface: 438.607  Positive charged surface: 281.686  Negative charged surface: 156.921  Volume: 227.125
  Hydrophobic surface: 250.244  Hydrophilic surface: 188.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs02352929
NCID-ZINC01729793