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


PUBCHEM-ZINC03621228

 MMsINC code: MMs03024318
Type: Neutral
Formula: C15H19N
SMILES:   N1(CCC(CC1)C=1Cc2c(C=1)cccc2)C
InChI:   InChI=1/C15H19N/c1-16-8-6-12(7-9-16)15-10-13-4-2-3-5-14(13)11-15/h2-5,10,12H,6-9,11H2,1H3

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)=38.8672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.324 g/mol  logS: -2.57792  SlogP: 2.96787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792199  Sterimol/B1: 3.587  Sterimol/B2: 3.61761  Sterimol/B3: 3.6307
  Sterimol/B4: 4.2966  Sterimol/L: 14.7451 
 
 Surface and Volume Properties
  Accessible surface: 451.269  Positive charged surface: 349.82  Negative charged surface: 101.449  Volume: 237.25
  Hydrophobic surface: 448.594  Hydrophilic surface: 2.675
 
 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


MMs03024319
PUBCHEM-ZINC03621228