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


PUBCHEM-ZINC06521656

 MMsINC code: MMs03780045
Type: Neutral
Formula: C24H20N4O3
SMILES:   OC(=O)c1cc(NC(=O)CNc2nc(c3cc(ccc3n2)C)-c2ccccc2)ccc1
InChI:   InChI=1/C24H20N4O3/c1-15-10-11-20-19(12-15)22(16-6-3-2-4-7-16)28-24(27-20)25-14-21(29)26-18-9-5-8-17(13-18)23(30)31/h2-13H,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)

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)=97.5239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.449 g/mol  logS: -7.36755  SlogP: 4.35402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174388  Sterimol/B1: 2.58153  Sterimol/B2: 3.26671  Sterimol/B3: 3.61417
  Sterimol/B4: 8.94154  Sterimol/L: 19.1022 
 
 Surface and Volume Properties
  Accessible surface: 707.95  Positive charged surface: 419.742  Negative charged surface: 281.679  Volume: 388
  Hydrophobic surface: 510.431  Hydrophilic surface: 197.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03780046
PUBCHEM-ZINC06521656