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


NCID-ZINC01664398

 MMsINC code: MMs02300653
Type: Tautomer
Formula: C8H15N
SMILES:   NC1(C2CC(C1)CC2)C
InChI:   InChI=1/C8H15N/c1-8(9)5-6-2-3-7(8)4-6/h6-7H,2-5,9H2,1H3/t6-,7+,8-/m0/s1

Download   format file 
Drug Similarity  
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)=36.2868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.215 g/mol  logS: -1.17998  SlogP: 1.5238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.445868  Sterimol/B1: 3.02456  Sterimol/B2: 3.30077  Sterimol/B3: 3.85284
  Sterimol/B4: 4.15391  Sterimol/L: 8.85759 
 
 Surface and Volume Properties
  Accessible surface: 309.155  Positive charged surface: 241.002  Negative charged surface: 68.1525  Volume: 145.125
  Hydrophobic surface: 244.785  Hydrophilic surface: 64.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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:  
   
Parent related molecule:


MMs02300652
NCID-ZINC01664398