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CHEMDIV-ZINC06839446

 MMsINC code: MMs01045347
Type: Neutral
Formula: C19H20N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)NCCc1ccc(cc1)C
InChI:   InChI=1/C19H20N2O2/c1-13-3-6-15(7-4-13)9-10-20-19(22)12-17-16-11-14(2)5-8-18(16)23-21-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=60.1324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -5.01564  SlogP: 3.34598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554289  Sterimol/B1: 2.71315  Sterimol/B2: 3.60606  Sterimol/B3: 4.8454
  Sterimol/B4: 6.00137  Sterimol/L: 18.2337 
 
 Surface and Volume Properties
  Accessible surface: 604.286  Positive charged surface: 360.123  Negative charged surface: 240.437  Volume: 313.5
  Hydrophobic surface: 536.668  Hydrophilic surface: 67.618
 
 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.