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


ASINEX-ZINC04375784

 MMsINC code: MMs00328199
Type: Neutral
Formula: C25H26FNO
SMILES:   Fc1ccc(cc1)C1(O)CC(N(C)C(C1C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26FNO/c1-18-24(20-11-7-4-8-12-20)27(2)23(19-9-5-3-6-10-19)17-25(18,28)21-13-15-22(26)16-14-21/h3-16,18,23-24,28H,17H2,1-2H3/t18-,23-,24+,25+/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)=111.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.487 g/mol  logS: -5.63872  SlogP: 5.97  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219075  Sterimol/B1: 3.11748  Sterimol/B2: 4.84862  Sterimol/B3: 5.88892
  Sterimol/B4: 7.86641  Sterimol/L: 14.2419 
 
 Surface and Volume Properties
  Accessible surface: 617.034  Positive charged surface: 360.98  Negative charged surface: 256.054  Volume: 379.375
  Hydrophobic surface: 579.435  Hydrophilic surface: 37.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00328200
ASINEX-ZINC04375784