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


CHEMDIV-ZINC03038978

 MMsINC code: MMs00906564
Type: Neutral
Formula: C25H33FN2O2
SMILES:   Fc1ccccc1C1N(CCC=2CCCCC=2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H33FN2O2/c26-22-15-9-8-14-21(22)24-25(30)28(20-12-6-1-2-7-13-20)18-23(29)27(24)17-16-19-10-4-3-5-11-19/h8-10,14-15,20,24H,1-7,11-13,16-18H2/t24-/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)=135.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.549 g/mol  logS: -5.88913  SlogP: 5.2464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738262  Sterimol/B1: 2.48449  Sterimol/B2: 3.58032  Sterimol/B3: 5.31397
  Sterimol/B4: 7.16755  Sterimol/L: 18.5599 
 
 Surface and Volume Properties
  Accessible surface: 673.676  Positive charged surface: 475.668  Negative charged surface: 198.008  Volume: 409
  Hydrophobic surface: 613.858  Hydrophilic surface: 59.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.