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


CHEMBRIDGE-ZINC02846240

 MMsINC code: MMs00725983
Type: Neutral
Formula: C23H24FNO2
SMILES:   Fc1ccc(cc1)COc1ccc(cc1OC)CNC(C)c1ccccc1
InChI:   InChI=1/C23H24FNO2/c1-17(20-6-4-3-5-7-20)25-15-19-10-13-22(23(14-19)26-2)27-16-18-8-11-21(24)12-9-18/h3-14,17,25H,15-16H2,1-2H3/t17-/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)=93.959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.448 g/mol  logS: -5.38413  SlogP: 5.8924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910655  Sterimol/B1: 2.18114  Sterimol/B2: 4.71616  Sterimol/B3: 4.7981
  Sterimol/B4: 7.60494  Sterimol/L: 20.3562 
 
 Surface and Volume Properties
  Accessible surface: 693.713  Positive charged surface: 428.416  Negative charged surface: 265.296  Volume: 370.875
  Hydrophobic surface: 644.728  Hydrophilic surface: 48.985
 
 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


MMs00725984
CHEMBRIDGE-ZINC02846240