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ASINEX-ZINC00861946

 MMsINC code: MMs00197574
Type: Neutral
Formula: C24H23F3N2O3S
SMILES:   S(=O)(=O)(N(CCc1ccccc1)CC(=O)Nc1cc(ccc1)C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C24H23F3N2O3S/c1-18-10-12-22(13-11-18)33(31,32)29(15-14-19-6-3-2-4-7-19)17-23(30)28-21-9-5-8-20(16-21)24(25,26)27/h2-13,16H,14-15,17H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.519 g/mol  logS: -6.65471  SlogP: 5.19739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13835  Sterimol/B1: 2.47336  Sterimol/B2: 3.35144  Sterimol/B3: 6.48792
  Sterimol/B4: 10.2885  Sterimol/L: 17.9021 
 
 Surface and Volume Properties
  Accessible surface: 733.143  Positive charged surface: 360.417  Negative charged surface: 372.726  Volume: 420.75
  Hydrophobic surface: 551.838  Hydrophilic surface: 181.305
 
 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.