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ASINEX-ZINC00933734

 MMsINC code: MMs00225998
Type: Neutral
Formula: C25H30N2O4S3
SMILES:   s1cccc1CN(S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)CCc1ccccc1
InChI:   InChI=1/C25H30N2O4S3/c28-33(29,26-17-6-1-2-7-18-26)24-12-14-25(15-13-24)34(30,31)27(21-23-11-8-20-32-23)19-16-22-9-4-3-5-10-22/h3-5,8-15,20H,1-2,6-7,16-19,21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.723 g/mol  logS: -5.57186  SlogP: 5.01277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493948  Sterimol/B1: 2.4452  Sterimol/B2: 3.91034  Sterimol/B3: 4.46543
  Sterimol/B4: 11.999  Sterimol/L: 19.4753 
 
 Surface and Volume Properties
  Accessible surface: 764.677  Positive charged surface: 412.698  Negative charged surface: 351.979  Volume: 469.5
  Hydrophobic surface: 668.395  Hydrophilic surface: 96.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.