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CHEMBRIDGE-ZINC01198196

 MMsINC code: MMs00685954
Type: Neutral
Formula: C22H14N2O5
SMILES:   O(C(=O)c1c2c(ccc1)cccc2)c1cc(ccc1)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C22H14N2O5/c25-19-18(20(26)24-22(28)23-19)12-13-5-3-8-15(11-13)29-21(27)17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H2,23,24,25,26,28)

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Potential Energy
Epot(MMFF94)=82.0611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.363 g/mol  logS: -6.80304  SlogP: 2.8084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677704  Sterimol/B1: 2.70233  Sterimol/B2: 3.53669  Sterimol/B3: 5.33469
  Sterimol/B4: 7.17113  Sterimol/L: 18.0463 
 
 Surface and Volume Properties
  Accessible surface: 625.526  Positive charged surface: 328.581  Negative charged surface: 284.432  Volume: 342.125
  Hydrophobic surface: 422.444  Hydrophilic surface: 203.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.