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


CHEMBRIDGE-ZINC01764604

 MMsINC code: MMs00695697
Type: Tautomer
Formula: C21H20F2N2O3
SMILES:   Fc1ccccc1C\1N(CCN(C)C)C(=O)C(=O)/C/1=C(/O)\c1ccc(F)cc1
InChI:   InChI=1/C21H20F2N2O3/c1-24(2)11-12-25-18(15-5-3-4-6-16(15)23)17(20(27)21(25)28)19(26)13-7-9-14(22)10-8-13/h3-10,18,26H,11-12H2,1-2H3/b19-17-/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)=94.4085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.398 g/mol  logS: -4.35045  SlogP: 3.0436  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.28006  Sterimol/B1: 2.99882  Sterimol/B2: 4.86471  Sterimol/B3: 5.84871
  Sterimol/B4: 7.79392  Sterimol/L: 14.8152 
 
 Surface and Volume Properties
  Accessible surface: 591.206  Positive charged surface: 378.297  Negative charged surface: 212.909  Volume: 351.5
  Hydrophobic surface: 471.392  Hydrophilic surface: 119.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:  
   
Parent related molecule:


MMs00695695
CHEMBRIDGE-ZINC01764604