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


ASINEX-ZINC00716275

 MMsINC code: MMs00152739
Type: Neutral
Formula: C24H26FNO3
SMILES:   Fc1ccc(cc1)C1C(C(=O)C)C(O)(CC(Nc2ccc(cc2)C)=C1C(=O)C)C
InChI:   InChI=1/C24H26FNO3/c1-14-5-11-19(12-6-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)17-7-9-18(25)10-8-17/h5-12,22-23,26,29H,13H2,1-4H3/t22-,23+,24+/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)=146.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.474 g/mol  logS: -4.82446  SlogP: 4.53282  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10742  Sterimol/B1: 2.98152  Sterimol/B2: 4.47351  Sterimol/B3: 4.92677
  Sterimol/B4: 5.92285  Sterimol/L: 16.6775 
 
 Surface and Volume Properties
  Accessible surface: 618.004  Positive charged surface: 367.502  Negative charged surface: 250.503  Volume: 379.625
  Hydrophobic surface: 519.499  Hydrophilic surface: 98.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.