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ASINEX-ZINC00807007

 MMsINC code: MMs00173198
Type: Neutral
Formula: C21H16N2O4
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-23-20(25)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)

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Potential Energy
Epot(MMFF94)=129.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.369 g/mol  logS: -5.97918  SlogP: 3.1266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795714  Sterimol/B1: 3.65603  Sterimol/B2: 5.1058  Sterimol/B3: 5.27308
  Sterimol/B4: 7.04454  Sterimol/L: 15.7773 
 
 Surface and Volume Properties
  Accessible surface: 602.32  Positive charged surface: 320.129  Negative charged surface: 281.34  Volume: 333.25
  Hydrophobic surface: 468.179  Hydrophilic surface: 134.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00173199
ASINEX-ZINC00807007