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


PUBCHEM-ZINC05907911

 MMsINC code: MMs03439569
Type: Neutral
Formula: C10H17NS
SMILES:   s1ccc(C)c1CNC(CC)C
InChI:   InChI=1/C10H17NS/c1-4-9(3)11-7-10-8(2)5-6-12-10/h5-6,9,11H,4,7H2,1-3H3/t9-/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)=17.2577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.319 g/mol  logS: -1.94871  SlogP: 3.21102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0861495  Sterimol/B1: 2.67097  Sterimol/B2: 2.85517  Sterimol/B3: 3.58206
  Sterimol/B4: 5.63704  Sterimol/L: 11.6002 
 
 Surface and Volume Properties
  Accessible surface: 412.758  Positive charged surface: 249.973  Negative charged surface: 162.785  Volume: 200
  Hydrophobic surface: 359.003  Hydrophilic surface: 53.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03439570
PUBCHEM-ZINC05907911