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ASINEX-ZINC00914134

 MMsINC code: MMs00217394
Type: Neutral
Formula: C24H24N2O4S2
SMILES:   s1cccc1CN(S(=O)(=O)c1ccc(OC)cc1)CC1=Cc2cc(ccc2NC1=O)CC
InChI:   InChI=1/C24H24N2O4S2/c1-3-17-6-11-23-18(13-17)14-19(24(27)25-23)15-26(16-21-5-4-12-31-21)32(28,29)22-9-7-20(30-2)8-10-22/h4-14H,3,15-16H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.598 g/mol  logS: -6.54677  SlogP: 4.81207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860607  Sterimol/B1: 3.9989  Sterimol/B2: 4.04208  Sterimol/B3: 4.99126
  Sterimol/B4: 5.28984  Sterimol/L: 17.7911 
 
 Surface and Volume Properties
  Accessible surface: 642.158  Positive charged surface: 359.799  Negative charged surface: 282.359  Volume: 424.5
  Hydrophobic surface: 512.172  Hydrophilic surface: 129.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.