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CHEMBRIDGE-ZINC04744162

 MMsINC code: MMs00782354
Type: Neutral
Formula: C16H30N2O
SMILES:   O=C(N1CCC(N2CCCCCC2)CC1)CC(C)C
InChI:   InChI=1/C16H30N2O/c1-14(2)13-16(19)18-11-7-15(8-12-18)17-9-5-3-4-6-10-17/h14-15H,3-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=45.8759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.429 g/mol  logS: -2.30288  SlogP: 2.8995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858581  Sterimol/B1: 2.09816  Sterimol/B2: 3.31567  Sterimol/B3: 5.20857
  Sterimol/B4: 5.33043  Sterimol/L: 16.2853 
 
 Surface and Volume Properties
  Accessible surface: 526.248  Positive charged surface: 427.718  Negative charged surface: 98.5299  Volume: 294.375
  Hydrophobic surface: 463.577  Hydrophilic surface: 62.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00782355
CHEMBRIDGE-ZINC04744162