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PUBCHEM-ZINC04211089

 MMsINC code: MMs03101228
Type: Neutral
Formula: C26H23F6N3O2
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cc(C(=O)NC(C)c2ccccc2)c(
N(C)C)cc1
InChI:   InChI=1/C26H23F6N3O2/c1-15(16-7-5-4-6-8-16)33-24(37)21-14-20(9-10-22(21)35(2)3)34-23(36)17-11-18(25(27,28)29)13-19(12-17)26(30,31)32/h4-15H,1-3H3,(H,33,37)(H,34,36)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=193.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.477 g/mol  logS: -7.63662  SlogP: 7.252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691535  Sterimol/B1: 2.72876  Sterimol/B2: 5.37506  Sterimol/B3: 6.5049
  Sterimol/B4: 7.94089  Sterimol/L: 17.7711 
 
 Surface and Volume Properties
  Accessible surface: 784.756  Positive charged surface: 376.872  Negative charged surface: 407.884  Volume: 444.5
  Hydrophobic surface: 499.628  Hydrophilic surface: 285.128
 
 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: 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.