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CHEMDIV-ZINC00645025

 MMsINC code: MMs00856375
Type: Neutral
Formula: C23H26N2O6S2
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc2c(-c3c(OC2=O)cc(S(=O)(=O)N2CCCCC2)cc
3)cc1
InChI:   InChI=1/C23H26N2O6S2/c26-23-21-15-17(32(27,28)24-11-3-1-4-12-24)7-9-19(21)20-10-8-18(16-22(20)31-23)33(29,30)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.8985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.601 g/mol  logS: -6.02698  SlogP: 3.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335458  Sterimol/B1: 2.54105  Sterimol/B2: 3.35986  Sterimol/B3: 5.23476
  Sterimol/B4: 6.29679  Sterimol/L: 21.839 
 
 Surface and Volume Properties
  Accessible surface: 715.675  Positive charged surface: 432.315  Negative charged surface: 272.909  Volume: 424
  Hydrophobic surface: 546.073  Hydrophilic surface: 169.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.