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ASINEX-ZINC00854527

 MMsINC code: MMs00194429
Type: Neutral
Formula: C24H26N2O5S2
SMILES:   S(C)c1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2OC)c2ccc(cc2)C)cc1
InChI:   InChI=1/C24H26N2O5S2/c1-17-5-7-18(8-6-17)26(33(28,29)21-12-10-20(32-4)11-13-21)16-24(27)25-22-15-19(30-2)9-14-23(22)31-3/h5-15H,16H2,1-4H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=135.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.613 g/mol  logS: -6.71481  SlogP: 4.56812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134895  Sterimol/B1: 2.03595  Sterimol/B2: 4.82379  Sterimol/B3: 6.54783
  Sterimol/B4: 11.4341  Sterimol/L: 19.4233 
 
 Surface and Volume Properties
  Accessible surface: 777.114  Positive charged surface: 485.018  Negative charged surface: 292.095  Volume: 443.625
  Hydrophobic surface: 643.325  Hydrophilic surface: 133.789
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.