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


CHEMBLOCK-ZINC02192308

 MMsINC code: MMs00530337
Type: Neutral
Formula: C23H24N2O
SMILES:   O(C)c1cc2c([nH]c(C)c2CCNCc2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C23H24N2O/c1-16-20(22-14-19(26-2)10-11-23(22)25-16)12-13-24-15-18-8-5-7-17-6-3-4-9-21(17)18/h3-11,14,24-25H,12-13,15H2,1-2H3

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)=79.8488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.4863  SlogP: 5.23679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233983  Sterimol/B1: 2.21689  Sterimol/B2: 2.90727  Sterimol/B3: 3.37093
  Sterimol/B4: 9.26788  Sterimol/L: 18.0117 
 
 Surface and Volume Properties
  Accessible surface: 646.568  Positive charged surface: 419.503  Negative charged surface: 212.588  Volume: 360.125
  Hydrophobic surface: 588.264  Hydrophilic surface: 58.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00530338
CHEMBLOCK-ZINC02192308