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CHEMDIV-ZINC02724209

 MMsINC code: MMs00886907
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(cc2)C)C(=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H21FN2O3/c1-15-3-12-21-20(13-15)23(16-4-8-18(25)9-5-16)27(14-22(28)26-21)24(29)17-6-10-19(30-2)11-7-17/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.441 g/mol  logS: -6.13103  SlogP: 4.42212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.346211  Sterimol/B1: 2.38992  Sterimol/B2: 4.65403  Sterimol/B3: 6.02375
  Sterimol/B4: 9.30503  Sterimol/L: 14.5342 
 
 Surface and Volume Properties
  Accessible surface: 617.554  Positive charged surface: 350.931  Negative charged surface: 266.622  Volume: 372.25
  Hydrophobic surface: 509.68  Hydrophilic surface: 107.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.