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


NCID-ZINC01675432

 MMsINC code: MMs02310769
Type: Neutral
Formula: C10H15N
SMILES:   n1cc(ccc1)CCCCC
InChI:   InChI=1/C10H15N/c1-2-3-4-6-10-7-5-8-11-9-10/h5,7-9H,2-4,6H2,1H3

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)=19.9661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -2.34809  SlogP: 2.81427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710074  Sterimol/B1: 2.75645  Sterimol/B2: 3.32079  Sterimol/B3: 3.3453
  Sterimol/B4: 3.89153  Sterimol/L: 13.4617 
 
 Surface and Volume Properties
  Accessible surface: 383.659  Positive charged surface: 289.656  Negative charged surface: 94.003  Volume: 175.75
  Hydrophobic surface: 345.478  Hydrophilic surface: 38.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.