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PUBCHEM-ZINC06462678

 MMsINC code: MMs03749051
Type: Neutral
Formula: C17H34N2O
SMILES:   O=C(NC1CCCCCCCCCCC1)N(CC)CC
InChI:   InChI=1/C17H34N2O/c1-3-19(4-2)17(20)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h16H,3-15H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=56.8736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.472 g/mol  logS: -4.71522  SlogP: 4.7111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144912  Sterimol/B1: 2.21478  Sterimol/B2: 4.99157  Sterimol/B3: 5.01209
  Sterimol/B4: 6.62459  Sterimol/L: 14.1811 
 
 Surface and Volume Properties
  Accessible surface: 552.41  Positive charged surface: 423.048  Negative charged surface: 129.362  Volume: 322.25
  Hydrophobic surface: 490.184  Hydrophilic surface: 62.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.