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


CHEMBLOCK-ZINC01195557

 MMsINC code: MMs00517397
Type: Neutral
Formula: C23H18N2O3
SMILES:   O(C)c1cc(cc(OC)c1O)-c1[nH]c2c3c(c4c(c2n1)cccc4)cccc3
InChI:   InChI=1/C23H18N2O3/c1-27-18-11-13(12-19(28-2)22(18)26)23-24-20-16-9-5-3-7-14(16)15-8-4-6-10-17(15)21(20)25-23/h3-12,26H,1-2H3,(H,24,25)

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)=121.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.408 g/mol  logS: -7.98481  SlogP: 5.2591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00528183  Sterimol/B1: 2.36941  Sterimol/B2: 2.38119  Sterimol/B3: 2.4877
  Sterimol/B4: 9.65526  Sterimol/L: 15.608 
 
 Surface and Volume Properties
  Accessible surface: 641.637  Positive charged surface: 405.74  Negative charged surface: 212.923  Volume: 350.25
  Hydrophobic surface: 554.35  Hydrophilic surface: 87.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.