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


CHEMBRIDGE-ZINC04980525

 MMsINC code: MMs00817912
Type: Neutral
Formula: C24H25FN2O
SMILES:   Fc1ccc(N2CCN(CC2)Cc2ccc(OCc3ccccc3)cc2)cc1
InChI:   InChI=1/C24H25FN2O/c25-22-8-10-23(11-9-22)27-16-14-26(15-17-27)18-20-6-12-24(13-7-20)28-19-21-4-2-1-3-5-21/h1-13H,14-19H2

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)=165.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.475 g/mol  logS: -5.24018  SlogP: 5.2597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421175  Sterimol/B1: 3.24368  Sterimol/B2: 3.53818  Sterimol/B3: 4.13817
  Sterimol/B4: 6.77316  Sterimol/L: 20.7099 
 
 Surface and Volume Properties
  Accessible surface: 685.214  Positive charged surface: 425.319  Negative charged surface: 259.895  Volume: 376.875
  Hydrophobic surface: 656.81  Hydrophilic surface: 28.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00817913
CHEMBRIDGE-ZINC04980525