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PUBCHEM-ZINC00700438

 MMsINC code: MMs02730784
Type: Neutral
Formula: C23H23FN2O3S2
SMILES:   s1cccc1CN(Cc1ccc(F)cc1)C(=O)CN(S(=O)(=O)c1ccccc1)C1CC1
InChI:   InChI=1/C23H23FN2O3S2/c24-19-10-8-18(9-11-19)15-25(16-21-5-4-14-30-21)23(27)17-26(20-12-13-20)31(28,29)22-6-2-1-3-7-22/h1-11,14,20H,12-13,15-17H2

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Potential Energy
Epot(MMFF94)=93.6042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.578 g/mol  logS: -5.55485  SlogP: 4.8021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770426  Sterimol/B1: 2.43413  Sterimol/B2: 4.93405  Sterimol/B3: 5.87085
  Sterimol/B4: 7.46456  Sterimol/L: 16.9696 
 
 Surface and Volume Properties
  Accessible surface: 672.872  Positive charged surface: 333.286  Negative charged surface: 339.586  Volume: 415.25
  Hydrophobic surface: 566.638  Hydrophilic surface: 106.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.