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CHEMDIV-ZINC01085689

 MMsINC code: MMs00862454
Type: Neutral
Formula: C22H16N2O4
SMILES:   Oc1ccccc1NC(=O)c1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C
InChI:   InChI=1/C22H16N2O4/c1-13-5-4-6-15(11-13)24-21(27)16-10-9-14(12-17(16)22(24)28)20(26)23-18-7-2-3-8-19(18)25/h2-12,25H,1H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=118.294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.38 g/mol  logS: -5.84055  SlogP: 3.75352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00869634  Sterimol/B1: 2.58046  Sterimol/B2: 3.00364  Sterimol/B3: 3.12473
  Sterimol/B4: 5.92876  Sterimol/L: 20.5827 
 
 Surface and Volume Properties
  Accessible surface: 623.304  Positive charged surface: 336.906  Negative charged surface: 286.398  Volume: 341.125
  Hydrophobic surface: 474.608  Hydrophilic surface: 148.696
 
 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.