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


PUBCHEM-ZINC03733060

 MMsINC code: MMs03061868
Type: Neutral
Formula: C10H21N
SMILES:   N1CCC(CC)C1C(C)(C)C
InChI:   InChI=1/C10H21N/c1-5-8-6-7-11-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3/t8-,9-/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)=38.0684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -1.55937  SlogP: 2.4206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246547  Sterimol/B1: 2.58874  Sterimol/B2: 3.30857  Sterimol/B3: 3.5061
  Sterimol/B4: 6.01983  Sterimol/L: 10.5 
 
 Surface and Volume Properties
  Accessible surface: 365.874  Positive charged surface: 273.256  Negative charged surface: 92.6176  Volume: 189.125
  Hydrophobic surface: 280.389  Hydrophilic surface: 85.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03061869
PUBCHEM-ZINC03733060