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


CHEMDIV-ZINC03587714

 MMsINC code: MMs00911058
Type: Neutral
Formula: C19H26N4O3
SMILES:   o1c2c(nc1N1CCC(CC1)C(=O)NCCN1CCOCC1)cccc2
InChI:   InChI=1/C19H26N4O3/c24-18(20-7-10-22-11-13-25-14-12-22)15-5-8-23(9-6-15)19-21-16-3-1-2-4-17(16)26-19/h1-4,15H,5-14H2,(H,20,24)

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)=96.9168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.442 g/mol  logS: -3.21484  SlogP: 1.4926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174162  Sterimol/B1: 2.91666  Sterimol/B2: 2.98888  Sterimol/B3: 3.15539
  Sterimol/B4: 5.64622  Sterimol/L: 21.5465 
 
 Surface and Volume Properties
  Accessible surface: 659.31  Positive charged surface: 511.102  Negative charged surface: 148.208  Volume: 347.875
  Hydrophobic surface: 555.266  Hydrophilic surface: 104.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00911059
CHEMDIV-ZINC03587714