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ASINEX-ZINC00233262

 MMsINC code: MMs00095233
Type: Neutral
Formula: C21H13NO4
SMILES:   Oc1cc(N2C(=O)c3c(ccc(c3)C(=O)c3ccccc3)C2=O)ccc1
InChI:   InChI=1/C21H13NO4/c23-16-8-4-7-15(12-16)22-20(25)17-10-9-14(11-18(17)21(22)26)19(24)13-5-2-1-3-6-13/h1-12,23H

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Potential Energy
Epot(MMFF94)=120.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.338 g/mol  logS: -5.46945  SlogP: 3.4238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013991  Sterimol/B1: 2.59712  Sterimol/B2: 2.77181  Sterimol/B3: 2.89209
  Sterimol/B4: 7.72257  Sterimol/L: 17.3334 
 
 Surface and Volume Properties
  Accessible surface: 567.597  Positive charged surface: 288.627  Negative charged surface: 278.971  Volume: 310.75
  Hydrophobic surface: 411.828  Hydrophilic surface: 155.769
 
 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.