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ANALYTICONDISCOVERY-ZINC08295966

 MMsINC code: MMs00039279
Type: Neutral
Formula: C17H32N2O2
SMILES:   O=C(N1CC(CC)C(CC1)CC(=O)NCCC)C(C)(C)C
InChI:   InChI=1/C17H32N2O2/c1-6-9-18-15(20)11-14-8-10-19(12-13(14)7-2)16(21)17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=85.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -2.19896  SlogP: 2.8235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750111  Sterimol/B1: 3.41657  Sterimol/B2: 3.5105  Sterimol/B3: 4.33636
  Sterimol/B4: 7.0646  Sterimol/L: 17.4181 
 
 Surface and Volume Properties
  Accessible surface: 570.895  Positive charged surface: 428.276  Negative charged surface: 142.619  Volume: 317.75
  Hydrophobic surface: 419.228  Hydrophilic surface: 151.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.