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


PUBCHEM-ZINC01996552

 MMsINC code: MMs02839528
Type: Neutral
Formula: C10H21N
SMILES:   N(C(C(CC=C(C)C)C)C)C
InChI:   InChI=1/C10H21N/c1-8(2)6-7-9(3)10(4)11-5/h6,9-11H,7H2,1-5H3/t9-,10-/m1/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)=28.5707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -1.75408  SlogP: 2.5867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13413  Sterimol/B1: 2.14513  Sterimol/B2: 3.13507  Sterimol/B3: 3.60546
  Sterimol/B4: 5.44437  Sterimol/L: 12.6079 
 
 Surface and Volume Properties
  Accessible surface: 401.908  Positive charged surface: 312.081  Negative charged surface: 89.8268  Volume: 195
  Hydrophobic surface: 337.493  Hydrophilic surface: 64.415
 
 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


MMs02839529
PUBCHEM-ZINC01996552