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PUBCHEM-ZINC00840229

 MMsINC code: MMs02739310
Type: Neutral
Formula: C24H23F3N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1cc(ccc1)C(F)(F)F)c1cc(C)c(cc1
)C)C
InChI:   InChI=1/C24H23F3N2O3S/c1-16-7-12-22(13-17(16)2)29(33(3,31)32)15-18-8-10-19(11-9-18)23(30)28-21-6-4-5-20(14-21)24(25,26)27/h4-14H,15H2,1-3H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.519 g/mol  logS: -7.04072  SlogP: 6.11864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560041  Sterimol/B1: 2.06003  Sterimol/B2: 3.17667  Sterimol/B3: 4.62043
  Sterimol/B4: 9.29973  Sterimol/L: 18.2482 
 
 Surface and Volume Properties
  Accessible surface: 728.298  Positive charged surface: 357.722  Negative charged surface: 370.576  Volume: 418.375
  Hydrophobic surface: 533.988  Hydrophilic surface: 194.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.