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


ASINEX-ZINC04848456

 MMsINC code: MMs00378842
Type: Neutral
Formula: C24H23N3O4
SMILES:   O1c2cc(ccc2OC1)CNc1n2C=C(C=Cc2nc1-c1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C24H23N3O4/c1-15-4-9-22-26-23(17-6-8-18(28-2)20(11-17)29-3)24(27(22)13-15)25-12-16-5-7-19-21(10-16)31-14-30-19/h4-11,13,25H,12,14H2,1-3H3

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)=203.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -4.95933  SlogP: 5.0621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843034  Sterimol/B1: 2.94458  Sterimol/B2: 3.71025  Sterimol/B3: 3.94187
  Sterimol/B4: 11.7547  Sterimol/L: 16.3862 
 
 Surface and Volume Properties
  Accessible surface: 710.607  Positive charged surface: 489.026  Negative charged surface: 221.582  Volume: 393.875
  Hydrophobic surface: 613.804  Hydrophilic surface: 96.803
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.