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


ASINEX-ZINC01355212

 MMsINC code: MMs00244014
Type: Neutral
Formula: C23H27FN2O
SMILES:   Fc1ccc(cc1)C1(NC(=O)NC2CCCCC2)CCCc2c1cccc2
InChI:   InChI=1/C23H27FN2O/c24-19-14-12-18(13-15-19)23(16-6-8-17-7-4-5-11-21(17)23)26-22(27)25-20-9-2-1-3-10-20/h4-5,7,11-15,20H,1-3,6,8-10,16H2,(H2,25,26,27)/t23-/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)=52.0639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.48 g/mol  logS: -5.80711  SlogP: 5.34897  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135075  Sterimol/B1: 2.76478  Sterimol/B2: 3.72968  Sterimol/B3: 6.03089
  Sterimol/B4: 8.19425  Sterimol/L: 16.0075 
 
 Surface and Volume Properties
  Accessible surface: 618.802  Positive charged surface: 416.744  Negative charged surface: 202.058  Volume: 363.5
  Hydrophobic surface: 583.228  Hydrophilic surface: 35.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.