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


PUBCHEM-ZINC02928824

 MMsINC code: MMs02961202
Type: Neutral
Formula: C23H22F2N2O3
SMILES:   Fc1cc(NC(=O)CCn2c(cc(C(OCC)=O)c2C)-c2ccccc2)ccc1F
InChI:   InChI=1/C23H22F2N2O3/c1-3-30-23(29)18-14-21(16-7-5-4-6-8-16)27(15(18)2)12-11-22(28)26-17-9-10-19(24)20(25)13-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,28)

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)=93.8446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.436 g/mol  logS: -5.60793  SlogP: 5.21362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347183  Sterimol/B1: 2.54951  Sterimol/B2: 3.75884  Sterimol/B3: 4.36652
  Sterimol/B4: 8.34657  Sterimol/L: 20.6844 
 
 Surface and Volume Properties
  Accessible surface: 692.132  Positive charged surface: 391.192  Negative charged surface: 300.941  Volume: 382.375
  Hydrophobic surface: 587.614  Hydrophilic surface: 104.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.