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


CHEMDIV-ZINC03904959

 MMsINC code: MMs00918842
Type: Neutral
Formula: C17H24FNO2
SMILES:   Fc1ccccc1C(OC(CN1C(CCCC1C)C)C)=O
InChI:   InChI=1/C17H24FNO2/c1-12-7-6-8-13(2)19(12)11-14(3)21-17(20)15-9-4-5-10-16(15)18/h4-5,9-10,12-14H,6-8,11H2,1-3H3/t12-,13+,14-/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)=68.4734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.382 g/mol  logS: -3.69526  SlogP: 3.6339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272263  Sterimol/B1: 3.03302  Sterimol/B2: 4.60807  Sterimol/B3: 5.58652
  Sterimol/B4: 5.77795  Sterimol/L: 13.4771 
 
 Surface and Volume Properties
  Accessible surface: 514.84  Positive charged surface: 332.372  Negative charged surface: 182.468  Volume: 293.25
  Hydrophobic surface: 441.504  Hydrophilic surface: 73.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00918843
CHEMDIV-ZINC03904959