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MAYBRIDGE-ZINC01034921

 MMsINC code: MMs02151059
Type: Neutral
Formula: C19H19N3O2
SMILES:   o1nc(C)c(NC(=O)NC(c2ccccc2)c2ccccc2)c1C
InChI:   InChI=1/C19H19N3O2/c1-13-17(14(2)24-22-13)20-19(23)21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H2,20,21,23)

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Potential Energy
Epot(MMFF94)=71.3081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.38 g/mol  logS: -4.23712  SlogP: 4.29804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133134  Sterimol/B1: 3.33159  Sterimol/B2: 3.97512  Sterimol/B3: 4.90745
  Sterimol/B4: 7.19448  Sterimol/L: 14.2165 
 
 Surface and Volume Properties
  Accessible surface: 573.599  Positive charged surface: 320.832  Negative charged surface: 252.767  Volume: 316.5
  Hydrophobic surface: 509.676  Hydrophilic surface: 63.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.