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ASINEX-ZINC03066698

 MMsINC code: MMs00285229
Type: Neutral
Formula: C12H8N2O5
SMILES:   O=C1NC(=O)NC(=O)C1=Cc1ccc(cc1)C(O)=O
InChI:   InChI=1/C12H8N2O5/c15-9-8(10(16)14-12(19)13-9)5-6-1-3-7(4-2-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)

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Potential Energy
Epot(MMFF94)=14.1605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.205 g/mol  logS: -2.7805  SlogP: 0.1342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429485  Sterimol/B1: 2.20408  Sterimol/B2: 2.43066  Sterimol/B3: 3.3577
  Sterimol/B4: 5.45169  Sterimol/L: 13.7913 
 
 Surface and Volume Properties
  Accessible surface: 432.922  Positive charged surface: 235.24  Negative charged surface: 197.682  Volume: 212.625
  Hydrophobic surface: 153.093  Hydrophilic surface: 279.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00285230
ASINEX-ZINC03066698