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


ASINEX-ZINC04488507

 MMsINC code: MMs00342209
Type: Neutral
Formula: C20H24FNO3
SMILES:   Fc1ccc(cc1)COc1ccc(cc1OC)CNCC1OCCC1
InChI:   InChI=1/C20H24FNO3/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15/h4-9,11,18,22H,2-3,10,12-14H2,1H3/t18-/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)=92.8005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.414 g/mol  logS: -3.98404  SlogP: 4.2147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562296  Sterimol/B1: 2.1265  Sterimol/B2: 2.46047  Sterimol/B3: 5.21628
  Sterimol/B4: 8.29359  Sterimol/L: 20.3873 
 
 Surface and Volume Properties
  Accessible surface: 665.653  Positive charged surface: 472.744  Negative charged surface: 192.909  Volume: 340
  Hydrophobic surface: 615.606  Hydrophilic surface: 50.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00342210
ASINEX-ZINC04488507