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NCID-ZINC01699847

 MMsINC code: MMs02329787
Type: Neutral
Formula: C16H20N2O2
SMILES:   O=C1NC(=CC=C1)CCCCCCC=1NC(=O)C=CC=1
InChI:   InChI=1/C16H20N2O2/c19-15-11-5-9-13(17-15)7-3-1-2-4-8-14-10-6-12-16(20)18-14/h5-6,9-12H,1-4,7-8H2,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=29.2145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.348 g/mol  logS: -3.58556  SlogP: 2.4668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328904  Sterimol/B1: 2.4163  Sterimol/B2: 3.03608  Sterimol/B3: 3.385
  Sterimol/B4: 5.19086  Sterimol/L: 18.7113 
 
 Surface and Volume Properties
  Accessible surface: 551.332  Positive charged surface: 336.904  Negative charged surface: 214.428  Volume: 273.875
  Hydrophobic surface: 413.621  Hydrophilic surface: 137.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.