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CHEMBLOCK-ZINC04717876

MMsINC code: MMs00572722

Type: Neutral
Formula: C24H19N3O3
SMILES:   O=C(C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C)c1c2c([nH]c1)cccc2
InChI:   InChI=1/C24H19N3O3/c1-15-7-6-8-16(13-15)26-23(29)18-10-3-5-12-21(18)27-24(30)22(28)19-14-25-20-11-4-2-9-17(19)20/h2-14,25H,1H3,(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=129.199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.434 g/mol  logS: -6.42003  SlogP: 4.55002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020929  Sterimol/B1: 2.40418  Sterimol/B2: 3.34228  Sterimol/B3: 3.99466
  Sterimol/B4: 9.43532  Sterimol/L: 19.5218 
 
 Surface and Volume Properties
  Accessible surface: 677.82  Positive charged surface: 370.298  Negative charged surface: 301.676  Volume: 377.125
  Hydrophobic surface: 547.113  Hydrophilic surface: 130.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.