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PUBCHEM-ZINC01115097

 MMsINC code: MMs02772726
Type: Neutral
Formula: C24H19N3O3
SMILES:   O1c2cc(ccc2OC1)-c1nc2c(cccc2)c(c1)C(=O)Nc1nc(cc(c1)C)C
InChI:   InChI=1/C24H19N3O3/c1-14-9-15(2)25-23(10-14)27-24(28)18-12-20(26-19-6-4-3-5-17(18)19)16-7-8-21-22(11-16)30-13-29-21/h3-12H,13H2,1-2H3,(H,25,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.434 g/mol  logS: -6.13412  SlogP: 4.89464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00596354  Sterimol/B1: 2.0868  Sterimol/B2: 2.20682  Sterimol/B3: 2.84096
  Sterimol/B4: 11.473  Sterimol/L: 18.5516 
 
 Surface and Volume Properties
  Accessible surface: 671.037  Positive charged surface: 402.023  Negative charged surface: 258.483  Volume: 372.75
  Hydrophobic surface: 555.352  Hydrophilic surface: 115.685
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.