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


PUBCHEM-ZINC01017307

 MMsINC code: MMs02757869
Type: Neutral
Formula: C23H18N4O2
SMILES:   O(C)c1cc2c(cc1OC)c1c(nc2-c2cccnc2)n(nc1)-c1ccccc1
InChI:   InChI=1/C23H18N4O2/c1-28-20-11-17-18(12-21(20)29-2)22(15-7-6-10-24-13-15)26-23-19(17)14-25-27(23)16-8-4-3-5-9-16/h3-14H,1-2H3

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)=163.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.423 g/mol  logS: -6.48007  SlogP: 4.6529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322034  Sterimol/B1: 2.07556  Sterimol/B2: 2.8059  Sterimol/B3: 3.11736
  Sterimol/B4: 11.7331  Sterimol/L: 16.5042 
 
 Surface and Volume Properties
  Accessible surface: 631.566  Positive charged surface: 430.989  Negative charged surface: 182.043  Volume: 362.125
  Hydrophobic surface: 574.853  Hydrophilic surface: 56.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.