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ASINEX-ZINC03960362

 MMsINC code: MMs00294794
Type: Ionized
Formula: C15H11N2O4-
SMILES:   O=C(NNC(=O)c1ccccc1)c1ccccc1C(=O)[O-]
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)/p-1

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Potential Energy
Epot(MMFF94)=59.2557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.263 g/mol  logS: -3.81325  SlogP: 0.1249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495824  Sterimol/B1: 3.35585  Sterimol/B2: 3.57306  Sterimol/B3: 3.5972
  Sterimol/B4: 4.94089  Sterimol/L: 16.6477 
 
 Surface and Volume Properties
  Accessible surface: 506.484  Positive charged surface: 240.841  Negative charged surface: 265.643  Volume: 253.875
  Hydrophobic surface: 347.763  Hydrophilic surface: 158.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00294793
ASINEX-ZINC03960362