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CHEMBRIDGE-ZINC01211467

 MMsINC code: MMs00688543
Type: Neutral
Formula: C21H16N4O4
SMILES:   O=C1NC(=O)NC(=O)C1=Cc1c2c(n(c1)CC(=O)Nc1ccccc1)cccc2
InChI:   InChI=1/C21H16N4O4/c26-18(22-14-6-2-1-3-7-14)12-25-11-13(15-8-4-5-9-17(15)25)10-16-19(27)23-21(29)24-20(16)28/h1-11H,12H2,(H,22,26)(H2,23,24,27,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.6216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.383 g/mol  logS: -4.99144  SlogP: 2.2958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10252  Sterimol/B1: 2.88584  Sterimol/B2: 3.56561  Sterimol/B3: 5.11169
  Sterimol/B4: 8.37931  Sterimol/L: 17.4276 
 
 Surface and Volume Properties
  Accessible surface: 637.033  Positive charged surface: 355.011  Negative charged surface: 277.342  Volume: 346.75
  Hydrophobic surface: 415.573  Hydrophilic surface: 221.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.