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


PUBCHEM-ZINC06295301

 MMsINC code: MMs03664083
Type: Tautomer
Formula: C25H20FNO3
SMILES:   Fc1ccc(cc1)C\1N(Cc2ccccc2)C(=O)C(=O)/C/1=C(/O)\c1ccc(cc1)C
InChI:   InChI=1/C25H20FNO3/c1-16-7-9-19(10-8-16)23(28)21-22(18-11-13-20(26)14-12-18)27(25(30)24(21)29)15-17-5-3-2-4-6-17/h2-14,22,28H,15H2,1H3/b23-21-/t22-/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)=92.2516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.437 g/mol  logS: -6.3994  SlogP: 5.11792  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.254244  Sterimol/B1: 2.4962  Sterimol/B2: 5.23557  Sterimol/B3: 5.27118
  Sterimol/B4: 8.15901  Sterimol/L: 15.3434 
 
 Surface and Volume Properties
  Accessible surface: 616.419  Positive charged surface: 330.147  Negative charged surface: 286.271  Volume: 380.75
  Hydrophobic surface: 507.78  Hydrophilic surface: 108.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs03664081
PUBCHEM-ZINC06295301