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CHEMDIV-ZINC00706627

 MMsINC code: MMs00857349
Type: Neutral
Formula: C26H22N2O4S2
SMILES:   S(=O)(=O)(c1cc(NC(=O)COc2ccccc2C)cc(Sc2ncccc2)c1)c1ccccc1
InChI:   InChI=1/C26H22N2O4S2/c1-19-9-5-6-12-24(19)32-18-25(29)28-20-15-21(33-26-13-7-8-14-27-26)17-23(16-20)34(30,31)22-10-3-2-4-11-22/h2-17H,18H2,1H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.604 g/mol  logS: -7.45509  SlogP: 5.39152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741371  Sterimol/B1: 3.89553  Sterimol/B2: 5.33015  Sterimol/B3: 5.8122
  Sterimol/B4: 7.61301  Sterimol/L: 19.7487 
 
 Surface and Volume Properties
  Accessible surface: 783.582  Positive charged surface: 429.221  Negative charged surface: 354.361  Volume: 445.75
  Hydrophobic surface: 637.524  Hydrophilic surface: 146.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.