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CHEMDIV-ZINC03023110

 MMsINC code: MMs00903465
Type: Neutral
Formula: C24H23FN2O3S
SMILES:   S(=O)(=O)(N1CCCc2c1cccc2)c1cc(C(=O)Nc2cccc(C)c2C)c(F)cc1
InChI:   InChI=1/C24H23FN2O3S/c1-16-7-5-10-22(17(16)2)26-24(28)20-15-19(12-13-21(20)25)31(29,30)27-14-6-9-18-8-3-4-11-23(18)27/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.523 g/mol  logS: -6.4073  SlogP: 4.83631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686337  Sterimol/B1: 3.58188  Sterimol/B2: 4.09377  Sterimol/B3: 4.3786
  Sterimol/B4: 7.94041  Sterimol/L: 18.4308 
 
 Surface and Volume Properties
  Accessible surface: 674.784  Positive charged surface: 374.01  Negative charged surface: 300.774  Volume: 396.875
  Hydrophobic surface: 594.829  Hydrophilic surface: 79.955
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.