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


APOLLO-ZINC04293783

 MMsINC code: MMs00058861
Type: Neutral
Formula: C10H20N+
SMILES:   [NH3+]C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C10H19N/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8H,4-6,11H2,1-3H3/p+1/t7-,8-,10+/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)=52.8452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -1.43369  SlogP: 1.4431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.528265  Sterimol/B1: 2.4694  Sterimol/B2: 3.84011  Sterimol/B3: 4.32278
  Sterimol/B4: 4.89041  Sterimol/L: 9.2037 
 
 Surface and Volume Properties
  Accessible surface: 350.01  Positive charged surface: 280.312  Negative charged surface: 69.6976  Volume: 180.375
  Hydrophobic surface: 258.799  Hydrophilic surface: 91.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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:  
   

Ions/Tautomers related molecules


MMs00058862
APOLLO-ZINC04293783