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AURORAFEINCHEMIE-ZINC05348966

 MMsINC code: MMs00474643
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CC(CC(C1)C)C)C(C)C
InChI:   InChI=1/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-6-9(3)5-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/p-1/t9-,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=16.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -1.64307  SlogP: 0.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143404  Sterimol/B1: 2.5141  Sterimol/B2: 3.02798  Sterimol/B3: 5.27377
  Sterimol/B4: 6.41598  Sterimol/L: 13.2371 
 
 Surface and Volume Properties
  Accessible surface: 491.49  Positive charged surface: 339.59  Negative charged surface: 151.899  Volume: 262.75
  Hydrophobic surface: 326.782  Hydrophilic surface: 164.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs00474642
AURORAFEINCHEMIE-ZINC05348966