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ENAMINE-ZINC03200062

 MMsINC code: MMs01304017
Type: Neutral
Formula: C24H21F7N2O2
SMILES:   Fc1ccc(cc1)C(OC(C(F)(F)F)(C(F)(F)F)c1cc(n(c1C)-c1ccc(N(C)C)c
c1)C)=O
InChI:   InChI=1/C24H21F7N2O2/c1-14-13-20(15(2)33(14)19-11-9-18(10-12-19)32(3)4)22(23(26,27)28,24(29,30)31)35-21(34)16-5-7-17(25)8-6-16/h5-13H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=194.161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 502.43 g/mol  logS: -6.71075  SlogP: 7.62744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772656  Sterimol/B1: 2.40215  Sterimol/B2: 2.87496  Sterimol/B3: 5.01681
  Sterimol/B4: 7.788  Sterimol/L: 19.7299 
 
 Surface and Volume Properties
  Accessible surface: 692.574  Positive charged surface: 365.666  Negative charged surface: 326.908  Volume: 409.875
  Hydrophobic surface: 541.108  Hydrophilic surface: 151.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.