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ENAMINE-ZINC03422828

 MMsINC code: MMs01432874
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N(CCC(=O)Nc2ccc(cc2)CC)c2ccc(OC)cc2)ccc1
InChI:   InChI=1/C24H25ClN2O4S/c1-3-18-7-9-20(10-8-18)26-24(28)15-16-27(21-11-13-22(31-2)14-12-21)32(29,30)23-6-4-5-19(25)17-23/h4-14,17H,3,15-16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.6836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -6.77446  SlogP: 5.13507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704837  Sterimol/B1: 2.75987  Sterimol/B2: 5.22765  Sterimol/B3: 5.7709
  Sterimol/B4: 9.3317  Sterimol/L: 18.3023 
 
 Surface and Volume Properties
  Accessible surface: 745.485  Positive charged surface: 414.126  Negative charged surface: 331.359  Volume: 430.875
  Hydrophobic surface: 620.006  Hydrophilic surface: 125.479
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.