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


CHEMBRIDGE-ZINC01199359

 MMsINC code: MMs00686171
Type: Neutral
Formula: C26H24N2O2
SMILES:   O(C)c1ccc(cc1)C1Nc2c(NC3=C1C(=O)CC(C3)c1ccccc1)cccc2
InChI:   InChI=1/C26H24N2O2/c1-30-20-13-11-18(12-14-20)26-25-23(27-21-9-5-6-10-22(21)28-26)15-19(16-24(25)29)17-7-3-2-4-8-17/h2-14,19,26-28H,15-16H2,1H3/t19-,26+/m1/s1

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)=153.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -5.47384  SlogP: 5.7702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.213515  Sterimol/B1: 2.31698  Sterimol/B2: 2.82789  Sterimol/B3: 6.52219
  Sterimol/B4: 8.41745  Sterimol/L: 15.6714 
 
 Surface and Volume Properties
  Accessible surface: 650.417  Positive charged surface: 435.858  Negative charged surface: 214.559  Volume: 390.625
  Hydrophobic surface: 570.514  Hydrophilic surface: 79.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.