logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ASINEX-ZINC00284468

 MMsINC code: MMs00108318
Type: Neutral
Formula: C18H25NO2S
SMILES:   S(=O)(=O)(N)c1cc(cc2c1cc(cc2)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C18H25NO2S/c1-17(2,3)13-8-7-12-9-14(18(4,5)6)11-16(15(12)10-13)22(19,20)21/h7-11H,1-6H3,(H2,19,20,21)

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=70.8982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.469 g/mol  logS: -7.52853  SlogP: 4.0822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811299  Sterimol/B1: 2.86121  Sterimol/B2: 3.46154  Sterimol/B3: 3.80299
  Sterimol/B4: 7.39518  Sterimol/L: 14.3951 
 
 Surface and Volume Properties
  Accessible surface: 552.028  Positive charged surface: 326.77  Negative charged surface: 214.706  Volume: 315.25
  Hydrophobic surface: 335.142  Hydrophilic surface: 216.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00108319
ASINEX-ZINC00284468