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CHEMDIV-ZINC06839398

 MMsINC code: MMs01045331
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C18H18N2O2/c1-12-3-6-14(7-4-12)11-19-18(21)10-16-15-9-13(2)5-8-17(15)22-20-16/h3-9H,10-11H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=52.0333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -4.95417  SlogP: 3.56991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030183  Sterimol/B1: 2.66815  Sterimol/B2: 3.79544  Sterimol/B3: 3.80987
  Sterimol/B4: 5.70364  Sterimol/L: 17.7865 
 
 Surface and Volume Properties
  Accessible surface: 577.967  Positive charged surface: 340.031  Negative charged surface: 234.611  Volume: 292.875
  Hydrophobic surface: 504.73  Hydrophilic surface: 73.237
 
 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.