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AURORAFEINCHEMIE-ZINC05348967

 MMsINC code: MMs00474645
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+/m1/s1

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Potential Energy
Epot(MMFF94)=16.6432 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: 0.0975773  Sterimol/B1: 2.25763  Sterimol/B2: 2.93086  Sterimol/B3: 4.50688
  Sterimol/B4: 6.06534  Sterimol/L: 13.9412 
 
 Surface and Volume Properties
  Accessible surface: 484.362  Positive charged surface: 336.822  Negative charged surface: 147.54  Volume: 262.75
  Hydrophobic surface: 324.174  Hydrophilic surface: 160.188
 
 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:


MMs00474644
AURORAFEINCHEMIE-ZINC05348967