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CHEMDIV-ZINC06950284

MMsINC code: MMs01068241

Type: Neutral
Formula: C24H21N3O4
SMILES:   O(CC)c1ccccc1NC(=O)C1=NN(C(=O)c2c1cccc2)c1cc(OC)ccc1
InChI:   InChI=1/C24H21N3O4/c1-3-31-21-14-7-6-13-20(21)25-23(28)22-18-11-4-5-12-19(18)24(29)27(26-22)16-9-8-10-17(15-16)30-2/h4-15H,3H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=167.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.449 g/mol  logS: -6.33372  SlogP: 4.0971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586953  Sterimol/B1: 2.39862  Sterimol/B2: 2.9173  Sterimol/B3: 4.77353
  Sterimol/B4: 12.2696  Sterimol/L: 15.3759 
 
 Surface and Volume Properties
  Accessible surface: 707.392  Positive charged surface: 451.166  Negative charged surface: 256.226  Volume: 389.875
  Hydrophobic surface: 604.8  Hydrophilic surface: 102.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.