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CHEMDIV-ZINC03024591

 MMsINC code: MMs00904027
Type: Neutral
Formula: C22H20ClFN2O4S
SMILES:   Clc1ccc(cc1)CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)c(F)cc1
InChI:   InChI=1/C22H20ClFN2O4S/c1-30-21-5-3-2-4-20(21)26-22(27)18-14-17(10-11-19(18)24)31(28,29)25-13-12-15-6-8-16(23)9-7-15/h2-11,14,25H,12-13H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.929 g/mol  logS: -6.10187  SlogP: 4.26097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0988707  Sterimol/B1: 2.45402  Sterimol/B2: 3.5761  Sterimol/B3: 5.37358
  Sterimol/B4: 7.45801  Sterimol/L: 20.2783 
 
 Surface and Volume Properties
  Accessible surface: 726.602  Positive charged surface: 378.743  Negative charged surface: 347.858  Volume: 398.25
  Hydrophobic surface: 606.082  Hydrophilic surface: 120.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.