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


CHEMDIV-ZINC03055640

 MMsINC code: MMs00908790
Type: Neutral
Formula: C18H26N2O2S
SMILES:   S(CCCC)CCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChI:   InChI=1/C18H26N2O2S/c1-2-3-13-23-14-5-11-19-18(22)15-7-9-16(10-8-15)20-12-4-6-17(20)21/h7-10H,2-6,11-14H2,1H3,(H,19,22)

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)=49.7278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.484 g/mol  logS: -4.09749  SlogP: 3.4666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00853337  Sterimol/B1: 2.67055  Sterimol/B2: 2.94573  Sterimol/B3: 3.18097
  Sterimol/B4: 5.75946  Sterimol/L: 23.7002 
 
 Surface and Volume Properties
  Accessible surface: 657.734  Positive charged surface: 456.467  Negative charged surface: 201.268  Volume: 339.25
  Hydrophobic surface: 524.094  Hydrophilic surface: 133.64
 
 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: no related molecules available.