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AURORAFEINCHEMIE-ZINC05348964

 MMsINC code: MMs00474640
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)=28.663 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: 0.0778242  Sterimol/B1: 2.38385  Sterimol/B2: 2.57702  Sterimol/B3: 3.84975
  Sterimol/B4: 7.01809  Sterimol/L: 13.4552 
 
 Surface and Volume Properties
  Accessible surface: 496.874  Positive charged surface: 363.874  Negative charged surface: 133  Volume: 260
  Hydrophobic surface: 313.682  Hydrophilic surface: 183.192
 
 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


MMs00474641
AURORAFEINCHEMIE-ZINC05348964