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ASINEX-ZINC01223865

 MMsINC code: MMs00232546
Type: Neutral
Formula: C25H24ClN3O3S
SMILES:   Clc1cc(S(=O)(=O)N(Cc2cc3c(nc2O)cc(cc3C)C)Cc2cccnc2)ccc1C
InChI:   InChI=1/C25H24ClN3O3S/c1-16-9-18(3)22-11-20(25(30)28-24(22)10-16)15-29(14-19-5-4-8-27-13-19)33(31,32)21-7-6-17(2)23(26)12-21/h4-13H,14-15H2,1-3H3,(H,28,30)

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Potential Energy
Epot(MMFF94)=91.6471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.004 g/mol  logS: -5.95655  SlogP: 5.83796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112708  Sterimol/B1: 3.31219  Sterimol/B2: 4.42684  Sterimol/B3: 4.51488
  Sterimol/B4: 12.0205  Sterimol/L: 14.7902 
 
 Surface and Volume Properties
  Accessible surface: 700.154  Positive charged surface: 382.71  Negative charged surface: 313.261  Volume: 434.125
  Hydrophobic surface: 588.586  Hydrophilic surface: 111.568
 
 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.