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


ENAMINE-ZINC03264532

 MMsINC code: MMs01338778
Type: Neutral
Formula: C18H26N2O5S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCC(OC)=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H26N2O5S/c1-18(2,3)13-7-9-14(10-8-13)26(23,24)20-11-5-6-15(20)17(22)19-12-16(21)25-4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,22)/t15-/m0/s1

Download   format file 
Drug Similarity  |  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)=85.7075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.481 g/mol  logS: -4.45114  SlogP: 1.4264  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.07168  Sterimol/B1: 2.63028  Sterimol/B2: 3.80405  Sterimol/B3: 4.45794
  Sterimol/B4: 7.73827  Sterimol/L: 19.1092 
 
 Surface and Volume Properties
  Accessible surface: 654.556  Positive charged surface: 445.982  Negative charged surface: 208.574  Volume: 356.625
  Hydrophobic surface: 472.999  Hydrophilic surface: 181.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.