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CHEMBLOCK-ZINC04343204

 MMsINC code: MMs00547883
Type: Neutral
Formula: C24H26N2O4S2
SMILES:   S(=O)(=O)(N1CCc2c(cccc2)C1CNS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C24H26N2O4S2/c1-18-7-11-21(12-8-18)31(27,28)25-17-24-23-6-4-3-5-20(23)15-16-26(24)32(29,30)22-13-9-19(2)10-14-22/h3-14,24-25H,15-17H2,1-2H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.614 g/mol  logS: -5.83037  SlogP: 3.66551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131363  Sterimol/B1: 2.82052  Sterimol/B2: 4.82755  Sterimol/B3: 6.31579
  Sterimol/B4: 6.88256  Sterimol/L: 19.2731 
 
 Surface and Volume Properties
  Accessible surface: 725.341  Positive charged surface: 383.117  Negative charged surface: 342.224  Volume: 428.375
  Hydrophobic surface: 616.694  Hydrophilic surface: 108.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.