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


ASINEX-ZINC00101502

 MMsINC code: MMs00075026
Type: Neutral
Formula: C15H20N2O
SMILES:   Oc1c2c(nc(C)c1CN(CC)CC)cccc2
InChI:   InChI=1/C15H20N2O/c1-4-17(5-2)10-13-11(3)16-14-9-7-6-8-12(14)15(13)18/h6-9H,4-5,10H2,1-3H3,(H,16,18)

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)=67.3992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.338 g/mol  logS: -2.45073  SlogP: 3.35702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146075  Sterimol/B1: 2.02054  Sterimol/B2: 3.07765  Sterimol/B3: 4.80362
  Sterimol/B4: 7.20892  Sterimol/L: 13.1966 
 
 Surface and Volume Properties
  Accessible surface: 472.183  Positive charged surface: 315.365  Negative charged surface: 151.781  Volume: 258.125
  Hydrophobic surface: 379.677  Hydrophilic surface: 92.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00075027
ASINEX-ZINC00101502