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


CHEMBRIDGE-ZINC02374011

 MMsINC code: MMs00708490
Type: Neutral
Formula: C20H20FNO
SMILES:   Fc1ccc(cc1)CNCCC(c1ccccc1)c1occc1
InChI:   InChI=1/C20H20FNO/c21-18-10-8-16(9-11-18)15-22-13-12-19(20-7-4-14-23-20)17-5-2-1-3-6-17/h1-11,14,19,22H,12-13,15H2/t19-/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)=54.6734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.384 g/mol  logS: -4.84553  SlogP: 4.9969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103219  Sterimol/B1: 2.09731  Sterimol/B2: 3.43066  Sterimol/B3: 4.39853
  Sterimol/B4: 8.56237  Sterimol/L: 16.6877 
 
 Surface and Volume Properties
  Accessible surface: 599.574  Positive charged surface: 338.389  Negative charged surface: 261.184  Volume: 315.125
  Hydrophobic surface: 576.313  Hydrophilic surface: 23.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00708491
CHEMBRIDGE-ZINC02374011