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ASINEX-ZINC02943400

 MMsINC code: MMs00281618
Type: Neutral
Formula: C16H19N3O3
SMILES:   O=C1N(N=C(C=C1)c1ccccc1)CC(=O)NCCCOC
InChI:   InChI=1/C16H19N3O3/c1-22-11-5-10-17-15(20)12-19-16(21)9-8-14(18-19)13-6-3-2-4-7-13/h2-4,6-9H,5,10-12H2,1H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=84.6019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.346 g/mol  logS: -3.1347  SlogP: 0.9418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382519  Sterimol/B1: 2.29799  Sterimol/B2: 3.92972  Sterimol/B3: 4.2085
  Sterimol/B4: 6.64341  Sterimol/L: 19.0845 
 
 Surface and Volume Properties
  Accessible surface: 585.962  Positive charged surface: 397.291  Negative charged surface: 188.671  Volume: 293.125
  Hydrophobic surface: 478.361  Hydrophilic surface: 107.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.