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CHEMDIV-ZINC06839367

 MMsINC code: MMs01045309
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)N(C)c1cc(ccc1)C
InChI:   InChI=1/C18H18N2O2/c1-12-5-4-6-14(9-12)20(3)18(21)11-16-15-10-13(2)7-8-17(15)22-19-16/h4-10H,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=84.1506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -4.90414  SlogP: 3.65011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10349  Sterimol/B1: 3.15209  Sterimol/B2: 4.29371  Sterimol/B3: 5.13695
  Sterimol/B4: 5.15381  Sterimol/L: 16.1849 
 
 Surface and Volume Properties
  Accessible surface: 549.836  Positive charged surface: 332.377  Negative charged surface: 214.142  Volume: 293.125
  Hydrophobic surface: 504.334  Hydrophilic surface: 45.502
 
 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: no related molecules available.