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PUBCHEM-ZINC01124351

 MMsINC code: MMs02775001
Type: Neutral
Formula: C23H23FN2O3S
SMILES:   S(=O)(=O)(N(CC(O)Cn1c2c(c3c1cccc3)cccc2)CC)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O3S/c1-2-25(30(28,29)19-13-11-17(24)12-14-19)15-18(27)16-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,18,27H,2,15-16H2,1H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.3273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.512 g/mol  logS: -5.54302  SlogP: 4.2717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544668  Sterimol/B1: 2.83137  Sterimol/B2: 3.58427  Sterimol/B3: 4.34776
  Sterimol/B4: 8.89452  Sterimol/L: 17.6282 
 
 Surface and Volume Properties
  Accessible surface: 653.648  Positive charged surface: 338.724  Negative charged surface: 304.818  Volume: 395.5
  Hydrophobic surface: 566.933  Hydrophilic surface: 86.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.