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


CHEMBRIDGE-ZINC01823406

 MMsINC code: MMs00698790
Type: Neutral
Formula: C23H27NO2
SMILES:   o1cccc1C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1
InChI:   InChI=1/C23H27NO2/c1-18(2)26-21-12-10-19(11-13-21)17-24-15-14-22(23-9-6-16-25-23)20-7-4-3-5-8-20/h3-13,16,18,22,24H,14-15,17H2,1-2H3/t22-/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)=75.9663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.474 g/mol  logS: -5.25535  SlogP: 5.645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748719  Sterimol/B1: 3.65708  Sterimol/B2: 5.12909  Sterimol/B3: 5.27036
  Sterimol/B4: 5.82509  Sterimol/L: 18.8756 
 
 Surface and Volume Properties
  Accessible surface: 683.533  Positive charged surface: 430.169  Negative charged surface: 253.364  Volume: 370.75
  Hydrophobic surface: 615.316  Hydrophilic surface: 68.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00698791
CHEMBRIDGE-ZINC01823406