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


ACROSORGANICS-ZINC04674523

 MMsINC code: MMs00018460
Type: Neutral
Formula: C6H15N
SMILES:   N(C(C)C)C(C)C
InChI:   InChI=1/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

Download   format file 
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)=-1.46335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 101.193 g/mol  logS: -0.66632  SlogP: 1.3928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20776  Sterimol/B1: 2.0941  Sterimol/B2: 2.21475  Sterimol/B3: 3.6751
  Sterimol/B4: 4.53773  Sterimol/L: 9.32273 
 
 Surface and Volume Properties
  Accessible surface: 313.608  Positive charged surface: 227.037  Negative charged surface: 86.571  Volume: 131.25
  Hydrophobic surface: 216.796  Hydrophilic surface: 96.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00018461
ACROSORGANICS-ZINC04674523