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ASINEX-ZINC00918258

 MMsINC code: MMs00219778
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)Cc1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C25H24N2O5S/c1-31-21-10-8-18(9-11-21)16-27(33(29,30)23-6-4-3-5-7-23)17-20-14-19-15-22(32-2)12-13-24(19)26-25(20)28/h3-15H,16-17H2,1-2H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=88.3807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -5.80134  SlogP: 4.1968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571454  Sterimol/B1: 2.44857  Sterimol/B2: 2.56847  Sterimol/B3: 5.62055
  Sterimol/B4: 8.68358  Sterimol/L: 19.9757 
 
 Surface and Volume Properties
  Accessible surface: 697.073  Positive charged surface: 446.159  Negative charged surface: 250.914  Volume: 426.875
  Hydrophobic surface: 569.941  Hydrophilic surface: 127.132
 
 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.