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CHEMDIV-ZINC06839256

 MMsINC code: MMs01045287
Type: Neutral
Formula: C19H20N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)Nc1ccc(cc1)C(C)C
InChI:   InChI=1/C19H20N2O2/c1-12(2)14-5-7-15(8-6-14)20-19(22)11-17-16-10-13(3)4-9-18(16)23-21-17/h4-10,12H,11H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=78.0221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -6.04057  SlogP: 4.44079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078538  Sterimol/B1: 2.21032  Sterimol/B2: 3.22472  Sterimol/B3: 4.73553
  Sterimol/B4: 7.45138  Sterimol/L: 16.904 
 
 Surface and Volume Properties
  Accessible surface: 587.531  Positive charged surface: 355.746  Negative charged surface: 227.843  Volume: 308.625
  Hydrophobic surface: 484.266  Hydrophilic surface: 103.265
 
 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.