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ASINEX-ZINC00918048

 MMsINC code: MMs00219647
Type: Neutral
Formula: C26H24N2O6S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)Cc1ccccc1)c1ccccc1C(OC)=O
InChI:   InChI=1/C26H24N2O6S/c1-33-21-12-13-23-19(15-21)14-20(25(29)27-23)17-28(16-18-8-4-3-5-9-18)35(31,32)24-11-7-6-10-22(24)26(30)34-2/h3-15H,16-17H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.552 g/mol  logS: -6.13269  SlogP: 3.9748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0993487  Sterimol/B1: 3.1726  Sterimol/B2: 4.92282  Sterimol/B3: 5.11267
  Sterimol/B4: 9.20233  Sterimol/L: 18.5243 
 
 Surface and Volume Properties
  Accessible surface: 710.507  Positive charged surface: 467.01  Negative charged surface: 243.498  Volume: 444.25
  Hydrophobic surface: 587.451  Hydrophilic surface: 123.056
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.