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


APOLLO-ZINC02157429

 MMsINC code: MMs00050732
Type: Neutral
Formula: C23H25ClFO5PS
SMILES:   Clc1cccc(F)c1CC=1C(Oc2c(ccc(OP(=S)(OCC)OCC)c2)C=1CCC)=O
InChI:   InChI=1/C23H25ClFO5PS/c1-4-8-16-17-12-11-15(30-31(32,27-5-2)28-6-3)13-22(17)29-23(26)18(16)14-19-20(24)9-7-10-21(19)25/h7,9-13H,4-6,8,14H2,1-3H3

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)=131.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.939 g/mol  logS: -9.09091  SlogP: 6.87077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107331  Sterimol/B1: 2.40029  Sterimol/B2: 3.29695  Sterimol/B3: 5.72402
  Sterimol/B4: 8.72666  Sterimol/L: 17.6416 
 
 Surface and Volume Properties
  Accessible surface: 714.127  Positive charged surface: 418.927  Negative charged surface: 295.199  Volume: 431.125
  Hydrophobic surface: 545.61  Hydrophilic surface: 168.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.