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CHEMDIV-ZINC06750392

 MMsINC code: MMs01013186
Type: Neutral
Formula: C19H19N3O2
SMILES:   O(C)c1ccc(cc1)-c1n[nH]cc1C(=O)NCc1ccccc1C
InChI:   InChI=1/C19H19N3O2/c1-13-5-3-4-6-15(13)11-20-19(23)17-12-21-22-18(17)14-7-9-16(24-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)

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Potential Energy
Epot(MMFF94)=80.1048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.38 g/mol  logS: -4.65443  SlogP: 3.59012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753766  Sterimol/B1: 2.33032  Sterimol/B2: 4.71201  Sterimol/B3: 6.00686
  Sterimol/B4: 6.21844  Sterimol/L: 17.2677 
 
 Surface and Volume Properties
  Accessible surface: 592.719  Positive charged surface: 369.116  Negative charged surface: 223.604  Volume: 316.75
  Hydrophobic surface: 467.516  Hydrophilic surface: 125.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.