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


ASINEX-ZINC00944103

 MMsINC code: MMs00226411
Type: Neutral
Formula: C19H18FNO3S
SMILES:   S(=O)(=O)(Nc1cc2c3CC(CCc3oc2cc1)C)c1ccc(F)cc1
InChI:   InChI=1/C19H18FNO3S/c1-12-2-8-18-16(10-12)17-11-14(5-9-19(17)24-18)21-25(22,23)15-6-3-13(20)4-7-15/h3-7,9,11-12,21H,2,8,10H2,1H3/t12-/m0/s1

Download   format file 
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)=49.9127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.421 g/mol  logS: -6.39106  SlogP: 4.49744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148286  Sterimol/B1: 3.10064  Sterimol/B2: 3.43705  Sterimol/B3: 5.43224
  Sterimol/B4: 7.16685  Sterimol/L: 13.9419 
 
 Surface and Volume Properties
  Accessible surface: 574.58  Positive charged surface: 334.506  Negative charged surface: 235.74  Volume: 317.625
  Hydrophobic surface: 459.333  Hydrophilic surface: 115.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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:  
   

Ions/Tautomers related molecules: no related molecules available.