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


AURORAFEINCHEMIE-ZINC06733646

 MMsINC code: MMs00480513
Type: Tautomer
Formula: C10H16N2
SMILES:   N(C)(C)c1ccc(cc1)C(N)C
InChI:   InChI=1/C10H16N2/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-8H,11H2,1-3H3/t8-/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)=40.8757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.252 g/mol  logS: -1.30442  SlogP: 1.8678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790985  Sterimol/B1: 2.09548  Sterimol/B2: 3.60487  Sterimol/B3: 3.76069
  Sterimol/B4: 4.4574  Sterimol/L: 12.0697 
 
 Surface and Volume Properties
  Accessible surface: 392.735  Positive charged surface: 311.071  Negative charged surface: 81.6636  Volume: 185.375
  Hydrophobic surface: 315.149  Hydrophilic surface: 77.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs00480512
AURORAFEINCHEMIE-ZINC06733646