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AURORAFEINCHEMIE-ZINC03956905

 MMsINC code: MMs00458649
Type: Neutral
Formula: C22H18N2O5
SMILES:   OC(C(=O)NNC(=O)c1ccccc1C(O)=O)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H18N2O5/c25-19(17-13-7-8-14-18(17)20(26)27)23-24-21(28)22(29,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,29H,(H,23,25)(H,24,28)(H,26,27)

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Potential Energy
Epot(MMFF94)=143.8 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.395 g/mol  logS: -5.11816  SlogP: 2.3934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912771  Sterimol/B1: 2.47781  Sterimol/B2: 3.36385  Sterimol/B3: 4.60224
  Sterimol/B4: 8.82755  Sterimol/L: 16.3287 
 
 Surface and Volume Properties
  Accessible surface: 650.647  Positive charged surface: 351.428  Negative charged surface: 299.22  Volume: 356.75
  Hydrophobic surface: 473.609  Hydrophilic surface: 177.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00458650
AURORAFEINCHEMIE-ZINC03956905