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CHEMDIV-ZINC06839480

 MMsINC code: MMs01045364
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)Nc1cc(cc(c1)C)C
InChI:   InChI=1/C18H18N2O2/c1-11-4-5-17-15(9-11)16(20-22-17)10-18(21)19-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=72.2529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -5.48405  SlogP: 3.93423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770825  Sterimol/B1: 2.44491  Sterimol/B2: 3.19423  Sterimol/B3: 5.52039
  Sterimol/B4: 6.66132  Sterimol/L: 16.0238 
 
 Surface and Volume Properties
  Accessible surface: 564.54  Positive charged surface: 334.476  Negative charged surface: 226.674  Volume: 294.875
  Hydrophobic surface: 500.186  Hydrophilic surface: 64.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.