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ANALYTICONDISCOVERY-ZINC05411932

 MMsINC code: MMs00036523
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(N1CC(CC)C(CC1)CC(=O)NC(C)C)C
InChI:   InChI=1/C14H26N2O2/c1-5-12-9-16(11(4)17)7-6-13(12)8-14(18)15-10(2)3/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=49.9454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.71909  SlogP: 1.7957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826828  Sterimol/B1: 2.39691  Sterimol/B2: 2.53632  Sterimol/B3: 4.75781
  Sterimol/B4: 7.00511  Sterimol/L: 14.9555 
 
 Surface and Volume Properties
  Accessible surface: 505.633  Positive charged surface: 373.701  Negative charged surface: 131.932  Volume: 269.125
  Hydrophobic surface: 379.72  Hydrophilic surface: 125.913
 
 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.