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


NCID-ZINC01579006

 MMsINC code: MMs02236870
Type: Neutral
Formula: C17H19N3O
SMILES:   ON=C1c2cc(N(C)C)ccc2-c2c1cc(N(C)C)cc2
InChI:   InChI=1/C17H19N3O/c1-19(2)11-5-7-13-14-8-6-12(20(3)4)10-16(14)17(18-21)15(13)9-11/h5-10,21H,1-4H3

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)=120.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.359 g/mol  logS: -3.90861  SlogP: 3.0256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00923  Sterimol/B1: 2.51236  Sterimol/B2: 2.51449  Sterimol/B3: 3.38578
  Sterimol/B4: 6.65779  Sterimol/L: 16.4917 
 
 Surface and Volume Properties
  Accessible surface: 535.225  Positive charged surface: 406.45  Negative charged surface: 116.775  Volume: 287.25
  Hydrophobic surface: 457.686  Hydrophilic surface: 77.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.