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


AURORAFEINCHEMIE-ZINC06779944

 MMsINC code: MMs00481589
Type: Neutral
Formula: C24H23N3O2
SMILES:   O=C1N(Cc2cn(nc2-c2ccccc2)-c2ccccc2)C(=O)C2C1CCCC2
InChI:   InChI=1/C24H23N3O2/c28-23-20-13-7-8-14-21(20)24(29)26(23)15-18-16-27(19-11-5-2-6-12-19)25-22(18)17-9-3-1-4-10-17/h1-6,9-12,16,20-21H,7-8,13-15H2/t20-,21+

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)=63.0581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.467 g/mol  logS: -5.60604  SlogP: 4.4809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833615  Sterimol/B1: 2.52122  Sterimol/B2: 3.94897  Sterimol/B3: 4.18132
  Sterimol/B4: 12.7019  Sterimol/L: 15.0811 
 
 Surface and Volume Properties
  Accessible surface: 661.174  Positive charged surface: 376.04  Negative charged surface: 285.134  Volume: 376.125
  Hydrophobic surface: 576.428  Hydrophilic surface: 84.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.