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CHEMBRIDGE-ZINC02891464

 MMsINC code: MMs00736855
Type: Neutral
Formula: C16H10N2O6
SMILES:   o1c(ccc1C=C1C(=O)NC(=O)NC1=O)-c1ccccc1C(O)=O
InChI:   InChI=1/C16H10N2O6/c19-13-11(14(20)18-16(23)17-13)7-8-5-6-12(24-8)9-3-1-2-4-10(9)15(21)22/h1-7H,(H,21,22)(H2,17,18,19,20,23)

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Potential Energy
Epot(MMFF94)=32.5332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.264 g/mol  logS: -4.92725  SlogP: 1.3942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162599  Sterimol/B1: 2.33971  Sterimol/B2: 4.23488  Sterimol/B3: 5.34102
  Sterimol/B4: 6.28476  Sterimol/L: 14.3769 
 
 Surface and Volume Properties
  Accessible surface: 516.32  Positive charged surface: 288.741  Negative charged surface: 227.579  Volume: 271
  Hydrophobic surface: 257.957  Hydrophilic surface: 258.363
 
 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


MMs00736856
CHEMBRIDGE-ZINC02891464