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ASINEX-ZINC00332901

 MMsINC code: MMs00119863
Type: Neutral
Formula: C21H13NO4
SMILES:   Oc1ccc(N2C(=O)c3c(ccc(c3)C(=O)c3ccccc3)C2=O)cc1
InChI:   InChI=1/C21H13NO4/c23-16-9-7-15(8-10-16)22-20(25)17-11-6-14(12-18(17)21(22)26)19(24)13-4-2-1-3-5-13/h1-12,23H

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Potential Energy
Epot(MMFF94)=121.228 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: 0.0141449  Sterimol/B1: 2.47275  Sterimol/B2: 2.79406  Sterimol/B3: 2.91456
  Sterimol/B4: 7.97055  Sterimol/L: 17.5288 
 
 Surface and Volume Properties
  Accessible surface: 569.065  Positive charged surface: 289.656  Negative charged surface: 279.408  Volume: 309.375
  Hydrophobic surface: 412.766  Hydrophilic surface: 156.299
 
 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.