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AURORAFEINCHEMIE-ZINC05348966

 MMsINC code: MMs00474642
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=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)/t9-,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=33.4471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.38262  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122811  Sterimol/B1: 1.9813  Sterimol/B2: 2.90053  Sterimol/B3: 5.21523
  Sterimol/B4: 5.74988  Sterimol/L: 13.1012 
 
 Surface and Volume Properties
  Accessible surface: 485.686  Positive charged surface: 355.78  Negative charged surface: 129.906  Volume: 260.875
  Hydrophobic surface: 310.285  Hydrophilic surface: 175.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00474643
AURORAFEINCHEMIE-ZINC05348966