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AURORAFEINCHEMIE-ZINC05351534

 MMsINC code: MMs00474820
Type: Neutral
Formula: C15H28N2O2
SMILES:   O=C1N(C(CCCC(C)C)C)C(=O)NC1C(CC)C
InChI:   InChI=1/C15H28N2O2/c1-6-11(4)13-14(18)17(15(19)16-13)12(5)9-7-8-10(2)3/h10-13H,6-9H2,1-5H3,(H,16,19)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=15.6643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -4.19753  SlogP: 3.1677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133822  Sterimol/B1: 2.22966  Sterimol/B2: 3.75396  Sterimol/B3: 4.08926
  Sterimol/B4: 8.75072  Sterimol/L: 13.0592 
 
 Surface and Volume Properties
  Accessible surface: 524.021  Positive charged surface: 369.131  Negative charged surface: 154.89  Volume: 291.625
  Hydrophobic surface: 349.552  Hydrophilic surface: 174.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.