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


IBS-ZINC02199038

 MMsINC code: MMs01799848
Type: Neutral
Formula: C23H27FN2O2
SMILES:   Fc1ccc(cc1)C1N(CCC2(O)C1CCCC2)CC(=O)Nc1ccccc1
InChI:   InChI=1/C23H27FN2O2/c24-18-11-9-17(10-12-18)22-20-8-4-5-13-23(20,28)14-15-26(22)16-21(27)25-19-6-2-1-3-7-19/h1-3,6-7,9-12,20,22,28H,4-5,8,13-16H2,(H,25,27)/t20-,22+,23+/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)=243.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.479 g/mol  logS: -5.04151  SlogP: 4.228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840426  Sterimol/B1: 3.64739  Sterimol/B2: 3.93108  Sterimol/B3: 4.04388
  Sterimol/B4: 7.51033  Sterimol/L: 16.7775 
 
 Surface and Volume Properties
  Accessible surface: 613.923  Positive charged surface: 407.906  Negative charged surface: 206.017  Volume: 364.375
  Hydrophobic surface: 557.889  Hydrophilic surface: 56.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01799849
IBS-ZINC02199038