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


PUBCHEM-ZINC06420691

 MMsINC code: MMs03722559
Type: Neutral
Formula: C26H22FNO3
SMILES:   Fc1ccccc1C1N(CCc2ccccc2)C(=O)C(=O)C1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C26H22FNO3/c1-17-11-13-19(14-12-17)24(29)22-23(20-9-5-6-10-21(20)27)28(26(31)25(22)30)16-15-18-7-3-2-4-8-18/h2-14,22-23H,15-16H2,1H3/t22-,23+/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)=90.1169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.464 g/mol  logS: -6.35921  SlogP: 4.42379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848512  Sterimol/B1: 3.05746  Sterimol/B2: 3.72059  Sterimol/B3: 4.73278
  Sterimol/B4: 7.91412  Sterimol/L: 19.6317 
 
 Surface and Volume Properties
  Accessible surface: 692.222  Positive charged surface: 351.122  Negative charged surface: 341.1  Volume: 398.5
  Hydrophobic surface: 597.861  Hydrophilic surface: 94.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03722560
PUBCHEM-ZINC06420691


MMs03722561
PUBCHEM-ZINC06420691


MMs03722562
PUBCHEM-ZINC06420691


MMs03722563
PUBCHEM-ZINC06420691