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ANALYTICONDISCOVERY-ZINC05414358

 MMsINC code: MMs00036947
Type: Neutral
Formula: C18H30N2O2
SMILES:   O=C(N1CC(CC)C(CC1)CC(=O)NC1CCCC1)C1CC1
InChI:   InChI=1/C18H30N2O2/c1-2-13-12-20(18(22)14-7-8-14)10-9-15(13)11-17(21)19-16-5-3-4-6-16/h13-16H,2-12H2,1H3,(H,19,21)/t13-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=54.8817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.45 g/mol  logS: -2.32209  SlogP: 2.72  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716095  Sterimol/B1: 2.40655  Sterimol/B2: 2.56001  Sterimol/B3: 4.94345
  Sterimol/B4: 8.14825  Sterimol/L: 16.8324 
 
 Surface and Volume Properties
  Accessible surface: 586.625  Positive charged surface: 444.941  Negative charged surface: 141.685  Volume: 325.875
  Hydrophobic surface: 475.634  Hydrophilic surface: 110.991
 
 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.