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CHEMDIV-ZINC03024486

 MMsINC code: MMs00903980
Type: Neutral
Formula: C23H22ClFN2O3S
SMILES:   Clc1ccc(cc1)CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)c(F)cc1
InChI:   InChI=1/C23H22ClFN2O3S/c1-2-17-5-3-4-6-22(17)27-23(28)20-15-19(11-12-21(20)25)31(29,30)26-14-13-16-7-9-18(24)10-8-16/h3-12,15,26H,2,13-14H2,1H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.957 g/mol  logS: -6.72718  SlogP: 4.81474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102822  Sterimol/B1: 2.28358  Sterimol/B2: 4.13534  Sterimol/B3: 6.21447
  Sterimol/B4: 8.4131  Sterimol/L: 20.282 
 
 Surface and Volume Properties
  Accessible surface: 731.444  Positive charged surface: 358.215  Negative charged surface: 373.229  Volume: 405.875
  Hydrophobic surface: 604.166  Hydrophilic surface: 127.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.