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PUBCHEM-ZINC02862494

 MMsINC code: MMs02944894
Type: Neutral
Formula: C24H21F3N2O2
SMILES:   FC(F)(F)c1cc(NC(=O)c2ccccc2NC(=O)C(CC)c2ccccc2)ccc1
InChI:   InChI=1/C24H21F3N2O2/c1-2-19(16-9-4-3-5-10-16)22(30)29-21-14-7-6-13-20(21)23(31)28-18-12-8-11-17(15-18)24(25,26)27/h3-15,19H,2H2,1H3,(H,28,31)(H,29,30)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.438 g/mol  logS: -7.15987  SlogP: 6.4015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770443  Sterimol/B1: 2.49023  Sterimol/B2: 3.02944  Sterimol/B3: 5.84536
  Sterimol/B4: 10.0061  Sterimol/L: 17.723 
 
 Surface and Volume Properties
  Accessible surface: 689.232  Positive charged surface: 342.83  Negative charged surface: 346.402  Volume: 387.125
  Hydrophobic surface: 520.325  Hydrophilic surface: 168.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.