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ASINEX-ZINC03960362

 MMsINC code: MMs00294793
Type: Neutral
Formula: C15H12N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C15H12N2O4/c18-13(10-6-2-1-3-7-10)16-17-14(19)11-8-4-5-9-12(11)15(20)21/h1-9H,(H,16,18)(H,17,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=84.4636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.271 g/mol  logS: -3.5528  SlogP: 1.4596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311971  Sterimol/B1: 2.8248  Sterimol/B2: 3.04196  Sterimol/B3: 4.68627
  Sterimol/B4: 4.88886  Sterimol/L: 16.4085 
 
 Surface and Volume Properties
  Accessible surface: 512.079  Positive charged surface: 269.645  Negative charged surface: 242.435  Volume: 254.875
  Hydrophobic surface: 341.181  Hydrophilic surface: 170.898
 
 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


MMs00294794
ASINEX-ZINC03960362