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ASINEX-ZINC04231160

 MMsINC code: MMs00320659
Type: Neutral
Formula: C21H20N2O4
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)CN(Cc1ccccc1)C(=O)CC
InChI:   InChI=1/C21H20N2O4/c1-2-20(24)23(11-14-6-4-3-5-7-14)12-16-8-15-9-18-19(27-13-26-18)10-17(15)22-21(16)25/h3-10H,2,11-13H2,1H3,(H,22,25)

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Potential Energy
Epot(MMFF94)=72.1873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.401 g/mol  logS: -4.22349  SlogP: 3.456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519562  Sterimol/B1: 2.23265  Sterimol/B2: 2.92125  Sterimol/B3: 3.93599
  Sterimol/B4: 9.67492  Sterimol/L: 17.5502 
 
 Surface and Volume Properties
  Accessible surface: 612.093  Positive charged surface: 398.641  Negative charged surface: 213.452  Volume: 341.625
  Hydrophobic surface: 459.974  Hydrophilic surface: 152.119
 
 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.