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CHEMDIV-ZINC06750387

 MMsINC code: MMs01013181
Type: Neutral
Formula: C19H19N3O2
SMILES:   O(C)c1ccc(cc1)-c1n[nH]cc1C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C19H19N3O2/c1-13-3-5-14(6-4-13)11-20-19(23)17-12-21-22-18(17)15-7-9-16(24-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)

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Potential Energy
Epot(MMFF94)=74.9424 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: 0.0397028  Sterimol/B1: 3.53537  Sterimol/B2: 3.72352  Sterimol/B3: 4.39756
  Sterimol/B4: 6.7142  Sterimol/L: 18.1323 
 
 Surface and Volume Properties
  Accessible surface: 611.223  Positive charged surface: 386.499  Negative charged surface: 224.724  Volume: 316.25
  Hydrophobic surface: 480.455  Hydrophilic surface: 130.768
 
 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.