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IBS-ZINC00986679

 MMsINC code: MMs01759791
Type: Neutral
Formula: C22H14N2O5
SMILES:   O=C\1N(c2ccc(cc2)C(O)=O)C(=O)NC(=O)/C/1=C/c1c2c(ccc1)cccc2
InChI:   InChI=1/C22H14N2O5/c25-19-18(12-15-6-3-5-13-4-1-2-7-17(13)15)20(26)24(22(29)23-19)16-10-8-14(9-11-16)21(27)28/h1-12H,(H,27,28)(H,23,25,29)/b18-12-

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Potential Energy
Epot(MMFF94)=103.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.363 g/mol  logS: -6.37625  SlogP: 3.2044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118202  Sterimol/B1: 2.58626  Sterimol/B2: 3.15805  Sterimol/B3: 5.57116
  Sterimol/B4: 7.85407  Sterimol/L: 15.9282 
 
 Surface and Volume Properties
  Accessible surface: 612.656  Positive charged surface: 318.003  Negative charged surface: 284.34  Volume: 342.5
  Hydrophobic surface: 392.581  Hydrophilic surface: 220.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01759792
IBS-ZINC00986679