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ASINEX-ZINC04993355

 MMsINC code: MMs00425934
Type: Neutral
Formula: C16H24N2O2
SMILES:   O=C1NC2=C(C=C1C(=O)N)CCCCCCCCCC2
InChI:   InChI=1/C16H24N2O2/c17-15(19)13-11-12-9-7-5-3-1-2-4-6-8-10-14(12)18-16(13)20/h11H,1-10H2,(H2,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=55.5289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -5.00787  SlogP: 2.6966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756293  Sterimol/B1: 2.66858  Sterimol/B2: 3.54289  Sterimol/B3: 4.17479
  Sterimol/B4: 5.98686  Sterimol/L: 14.204 
 
 Surface and Volume Properties
  Accessible surface: 485.612  Positive charged surface: 339.435  Negative charged surface: 146.177  Volume: 280.875
  Hydrophobic surface: 327.887  Hydrophilic surface: 157.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.