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


ACDBLOCKS-ZINC02582627

 MMsINC code: MMs00001048
Type: Neutral
Formula: C10H19N
SMILES:   N1CCCCC1C1CCCC1
InChI:   InChI=1/C10H19N/c1-2-6-9(5-1)10-7-3-4-8-11-10/h9-11H,1-8H2/t10-/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)=9.34442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.77078  SlogP: 2.3187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984729  Sterimol/B1: 2.86357  Sterimol/B2: 2.91373  Sterimol/B3: 2.99813
  Sterimol/B4: 4.4783  Sterimol/L: 11.1797 
 
 Surface and Volume Properties
  Accessible surface: 369.4  Positive charged surface: 308.739  Negative charged surface: 60.6617  Volume: 178.875
  Hydrophobic surface: 353.067  Hydrophilic surface: 16.333
 
 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


MMs00001049
ACDBLOCKS-ZINC02582627