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ASINEX-ZINC00348904

 MMsINC code: MMs00122209
Type: Neutral
Formula: C19H19N3O3
SMILES:   OC=1c2c(N(CCC)C(=O)C=1C(=O)Nc1ncccc1C)cccc2
InChI:   InChI=1/C19H19N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h4-10,23H,3,11H2,1-2H3,(H,20,21,24)

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Potential Energy
Epot(MMFF94)=77.5567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.379 g/mol  logS: -3.53187  SlogP: 3.05442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842452  Sterimol/B1: 2.24524  Sterimol/B2: 4.22056  Sterimol/B3: 4.26219
  Sterimol/B4: 9.12877  Sterimol/L: 15.8683 
 
 Surface and Volume Properties
  Accessible surface: 588.822  Positive charged surface: 369.071  Negative charged surface: 219.751  Volume: 320.75
  Hydrophobic surface: 463.929  Hydrophilic surface: 124.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.