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CHEMDIV-ZINC03022025

MMsINC code: MMs00903039

Type: Neutral
Formula: C21H18ClFN2O3S
SMILES:   Clc1ccccc1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)C)c(F)cc1
InChI:   InChI=1/C21H18ClFN2O3S/c1-25(14-15-7-3-2-4-8-15)29(27,28)20-13-16(11-12-18(20)23)21(26)24-19-10-6-5-9-17(19)22/h2-13H,14H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=76.5816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.903 g/mol  logS: -6.0656  SlogP: 4.8185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448316  Sterimol/B1: 3.56091  Sterimol/B2: 3.971  Sterimol/B3: 4.29684
  Sterimol/B4: 7.41464  Sterimol/L: 18.8796 
 
 Surface and Volume Properties
  Accessible surface: 654.59  Positive charged surface: 326.699  Negative charged surface: 327.89  Volume: 377.75
  Hydrophobic surface: 569.59  Hydrophilic surface: 85
 
 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.