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


ENAMINE-ZINC03221498

 MMsINC code: MMs01313657
Type: Neutral
Formula: C19H24N4O
SMILES:   O=C(Nc1cc(cc(c1)C)C)CN1CCN(CC1)c1ncccc1
InChI:   InChI=1/C19H24N4O/c1-15-11-16(2)13-17(12-15)21-19(24)14-22-7-9-23(10-8-22)18-5-3-4-6-20-18/h3-6,11-13H,7-10,14H2,1-2H3,(H,21,24)

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)=149.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.428 g/mol  logS: -3.35641  SlogP: 2.45914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603037  Sterimol/B1: 2.53104  Sterimol/B2: 3.83314  Sterimol/B3: 5.21338
  Sterimol/B4: 5.59721  Sterimol/L: 19.0934 
 
 Surface and Volume Properties
  Accessible surface: 616.58  Positive charged surface: 454.026  Negative charged surface: 162.554  Volume: 330.125
  Hydrophobic surface: 558.753  Hydrophilic surface: 57.827
 
 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


MMs01313658
ENAMINE-ZINC03221498