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


CHEMBRIDGE-ZINC04685488

 MMsINC code: MMs00776719
Type: Neutral
Formula: C24H27NO2
SMILES:   O(CC)c1cc(ccc1OC)CNC(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H27NO2/c1-3-27-24-17-20(14-15-23(24)26-2)18-25-22(21-12-8-5-9-13-21)16-19-10-6-4-7-11-19/h4-15,17,22,25H,3,16,18H2,1-2H3/t22-/m0/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)=101.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.485 g/mol  logS: -5.15062  SlogP: 5.52937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0900419  Sterimol/B1: 2.66963  Sterimol/B2: 4.40057  Sterimol/B3: 4.83236
  Sterimol/B4: 8.27568  Sterimol/L: 15.1201 
 
 Surface and Volume Properties
  Accessible surface: 672.208  Positive charged surface: 451.107  Negative charged surface: 221.101  Volume: 384.125
  Hydrophobic surface: 627.231  Hydrophilic surface: 44.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00776720
CHEMBRIDGE-ZINC04685488