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


IBS-ZINC04869556

 MMsINC code: MMs01902901
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(CCCCCC)c1ccc(N2C(=O)C(Nc3ccc(cc3)CCO)CC2=O)cc1
InChI:   InChI=1/C24H30N2O4/c1-2-3-4-5-16-30-21-12-10-20(11-13-21)26-23(28)17-22(24(26)29)25-19-8-6-18(7-9-19)14-15-27/h6-13,22,25,27H,2-5,14-17H2,1H3/t22-/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)=103.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -5.44736  SlogP: 3.92447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273774  Sterimol/B1: 3.04506  Sterimol/B2: 3.31528  Sterimol/B3: 4.55877
  Sterimol/B4: 7.13351  Sterimol/L: 25.9832 
 
 Surface and Volume Properties
  Accessible surface: 765.365  Positive charged surface: 521.177  Negative charged surface: 244.188  Volume: 413.875
  Hydrophobic surface: 602.11  Hydrophilic surface: 163.255
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.