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


ACROSORGANICS-ZINC04284396

MMsINC code: MMs00018068

Type: Neutral
Formula: C24H38O4
SMILES:   O(C(=O)c1ccc(cc1)C(OCC(CCCC)CC)=O)CC(CCCC)CC
InChI:   InChI=1/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3/t19-,20-/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)=67.4724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.564 g/mol  logS: -7.7316  SlogP: 6.433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0450834  Sterimol/B1: 2.30574  Sterimol/B2: 4.94164  Sterimol/B3: 5.42554
  Sterimol/B4: 6.25423  Sterimol/L: 24.4134 
 
 Surface and Volume Properties
  Accessible surface: 799.987  Positive charged surface: 564.5  Negative charged surface: 235.487  Volume: 425.625
  Hydrophobic surface: 635.168  Hydrophilic surface: 164.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.