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PUBCHEM-ZINC02938228

 MMsINC code: MMs02962772
Type: Neutral
Formula: C23H23FN2O3S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCCc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O3S/c24-20-11-13-21(14-12-20)30(28,29)26-22(17-19-9-5-2-6-10-19)23(27)25-16-15-18-7-3-1-4-8-18/h1-14,22,26H,15-17H2,(H,25,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.512 g/mol  logS: -5.34915  SlogP: 3.07414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0960669  Sterimol/B1: 4.30488  Sterimol/B2: 4.55443  Sterimol/B3: 5.08163
  Sterimol/B4: 6.9104  Sterimol/L: 17.9606 
 
 Surface and Volume Properties
  Accessible surface: 693.179  Positive charged surface: 377.562  Negative charged surface: 315.618  Volume: 392.75
  Hydrophobic surface: 608.671  Hydrophilic surface: 84.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.