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ENAMINE-ZINC01173431

 MMsINC code: MMs01238824
Type: Neutral
Formula: C24H23F3N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccccc1C(F)(F)F)c1cc(C)c(cc1)C
)C
InChI:   InChI=1/C24H23F3N2O3S/c1-16-8-13-20(14-17(16)2)29(33(3,31)32)15-18-9-11-19(12-10-18)23(30)28-22-7-5-4-6-21(22)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)=124.721 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: 0.0890643  Sterimol/B1: 2.02333  Sterimol/B2: 4.12148  Sterimol/B3: 4.40988
  Sterimol/B4: 9.53645  Sterimol/L: 17.9194 
 
 Surface and Volume Properties
  Accessible surface: 714.598  Positive charged surface: 356.133  Negative charged surface: 358.465  Volume: 418.375
  Hydrophobic surface: 543.384  Hydrophilic surface: 171.214
 
 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.