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AURORAFEINCHEMIE-ZINC04029927

 MMsINC code: MMs00463694
Type: Ionized
Formula: C10H21N2O3+
SMILES:   O(C(=O)CNC(=O)C([NH3+])CC(C)C)CC
InChI:   InChI=1/C10H20N2O3/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,14)/p+1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=26.6946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.289 g/mol  logS: -1.72488  SlogP: -0.6777  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.057277  Sterimol/B1: 3.41979  Sterimol/B2: 3.56177  Sterimol/B3: 3.79642
  Sterimol/B4: 4.85742  Sterimol/L: 15.2196 
 
 Surface and Volume Properties
  Accessible surface: 487.653  Positive charged surface: 371.793  Negative charged surface: 115.86  Volume: 227.375
  Hydrophobic surface: 286.336  Hydrophilic surface: 201.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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MMs00463693
AURORAFEINCHEMIE-ZINC04029927