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IBS-ZINC05343761

 MMsINC code: MMs01940792
Type: Neutral
Formula: C19H19N3O2
SMILES:   Oc1cc(cc(C)c1-c1n[nH]c(c1)C(=O)Nc1cc(ccc1)C)C
InChI:   InChI=1/C19H19N3O2/c1-11-5-4-6-14(8-11)20-19(24)16-10-15(21-22-16)18-13(3)7-12(2)9-17(18)23/h4-10,23H,1-3H3,(H,20,24)(H,21,22)

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Potential Energy
Epot(MMFF94)=98.2438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.38 g/mol  logS: -5.39882  SlogP: 3.95986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153361  Sterimol/B1: 2.30948  Sterimol/B2: 3.69103  Sterimol/B3: 3.7461
  Sterimol/B4: 5.232  Sterimol/L: 19.3298 
 
 Surface and Volume Properties
  Accessible surface: 584.577  Positive charged surface: 355.439  Negative charged surface: 229.138  Volume: 313.875
  Hydrophobic surface: 457.284  Hydrophilic surface: 127.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.