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PUBCHEM-ZINC01084485

 MMsINC code: MMs02766509
Type: Neutral
Formula: C24H23FN2O3S2
SMILES:   S(Cc1ccc(F)cc1)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChI:   InChI=1/C24H23FN2O3S2/c25-19-9-7-18(8-10-19)17-31-23-6-2-1-5-22(23)24(28)26-20-11-13-21(14-12-20)32(29,30)27-15-3-4-16-27/h1-2,5-14H,3-4,15-17H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.589 g/mol  logS: -6.90509  SlogP: 5.4212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529933  Sterimol/B1: 2.54952  Sterimol/B2: 3.62086  Sterimol/B3: 5.05826
  Sterimol/B4: 11.5805  Sterimol/L: 18.8409 
 
 Surface and Volume Properties
  Accessible surface: 751.048  Positive charged surface: 422.538  Negative charged surface: 328.51  Volume: 420.375
  Hydrophobic surface: 644.397  Hydrophilic surface: 106.651
 
 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.