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PUBCHEM-ZINC05048734

 MMsINC code: MMs03193262
Type: Neutral
Formula: C24H19N3O3
SMILES:   OC(=O)c1cc(NC(=O)c2cc(nc3c2cc(cc3C)C)-c2ncccc2)ccc1
InChI:   InChI=1/C24H19N3O3/c1-14-10-15(2)22-18(11-14)19(13-21(27-22)20-8-3-4-9-25-20)23(28)26-17-7-5-6-16(12-17)24(29)30/h3-13H,1-2H3,(H,26,28)(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.434 g/mol  logS: -5.65304  SlogP: 4.86414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253432  Sterimol/B1: 2.30496  Sterimol/B2: 2.90043  Sterimol/B3: 3.70222
  Sterimol/B4: 11.7987  Sterimol/L: 17.5719 
 
 Surface and Volume Properties
  Accessible surface: 669.134  Positive charged surface: 397.107  Negative charged surface: 267.369  Volume: 374
  Hydrophobic surface: 515.432  Hydrophilic surface: 153.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03193263
PUBCHEM-ZINC05048734