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CHEMDIV-ZINC03031823

 MMsINC code: MMs00905671
Type: Neutral
Formula: C24H24ClFN2O4S
SMILES:   Clc1ccc(cc1)CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2OCC)c(F)cc1
InChI:   InChI=1/C24H24ClFN2O4S/c1-3-32-23-7-5-4-6-22(23)28(2)24(29)20-16-19(12-13-21(20)26)33(30,31)27-15-14-17-8-10-18(25)11-9-17/h4-13,16,27H,3,14-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.983 g/mol  logS: -6.32309  SlogP: 4.67537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929344  Sterimol/B1: 2.55898  Sterimol/B2: 4.57097  Sterimol/B3: 5.357
  Sterimol/B4: 9.32932  Sterimol/L: 20.6359 
 
 Surface and Volume Properties
  Accessible surface: 772.16  Positive charged surface: 412.016  Negative charged surface: 360.143  Volume: 436.125
  Hydrophobic surface: 645.099  Hydrophilic surface: 127.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.