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PUBCHEM-ZINC05731818

 MMsINC code: MMs03363674
Type: Neutral
Formula: C18H28N2O2
SMILES:   OC(CCC)(CCC)C(=O)NN\C(=C\CC)\c1ccccc1
InChI:   InChI=1/C18H28N2O2/c1-4-10-16(15-11-8-7-9-12-15)19-20-17(21)18(22,13-5-2)14-6-3/h7-12,19,22H,4-6,13-14H2,1-3H3,(H,20,21)/b16-10-

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Potential Energy
Epot(MMFF94)=96.5574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.434 g/mol  logS: -4.20811  SlogP: 3.3896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200038  Sterimol/B1: 2.4279  Sterimol/B2: 4.2465  Sterimol/B3: 6.93352
  Sterimol/B4: 7.52798  Sterimol/L: 15.135 
 
 Surface and Volume Properties
  Accessible surface: 596.873  Positive charged surface: 401.145  Negative charged surface: 195.728  Volume: 325.875
  Hydrophobic surface: 460.86  Hydrophilic surface: 136.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.