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


IBS-ZINC05342980

 MMsINC code: MMs01940409
Type: Neutral
Formula: C24H30N4O3
SMILES:   O(CC(=O)Nc1cc2nc(n(c2cc1)C)CCN1CCCCC1)c1ccc(OC)cc1
InChI:   InChI=1/C24H30N4O3/c1-27-22-11-6-18(25-24(29)17-31-20-9-7-19(30-2)8-10-20)16-21(22)26-23(27)12-15-28-13-4-3-5-14-28/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,29)

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)=98.5675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.529 g/mol  logS: -4.31467  SlogP: 3.98697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111897  Sterimol/B1: 2.35751  Sterimol/B2: 2.75653  Sterimol/B3: 3.87826
  Sterimol/B4: 6.60363  Sterimol/L: 26.3452 
 
 Surface and Volume Properties
  Accessible surface: 757.52  Positive charged surface: 567.236  Negative charged surface: 190.284  Volume: 419.75
  Hydrophobic surface: 667.674  Hydrophilic surface: 89.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01940410
IBS-ZINC05342980