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


IBS-ZINC05516290

 MMsINC code: MMs01954505
Type: Neutral
Formula: C23H26FN3O
SMILES:   Fc1ccc(N2CCN(CC2)C(C(=O)c2c3c([nH]c2C)cc(cc3)C)C)cc1
InChI:   InChI=1/C23H26FN3O/c1-15-4-9-20-21(14-15)25-16(2)22(20)23(28)17(3)26-10-12-27(13-11-26)19-7-5-18(24)6-8-19/h4-9,14,17,25H,10-13H2,1-3H3/t17-/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)=192.828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.479 g/mol  logS: -5.15767  SlogP: 4.31724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13781  Sterimol/B1: 2.58312  Sterimol/B2: 3.689  Sterimol/B3: 4.79695
  Sterimol/B4: 8.05824  Sterimol/L: 18.0956 
 
 Surface and Volume Properties
  Accessible surface: 640.751  Positive charged surface: 392.827  Negative charged surface: 242.503  Volume: 373.5
  Hydrophobic surface: 561.609  Hydrophilic surface: 79.142
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01954506
IBS-ZINC05516290