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


PUBCHEM-ZINC06273132

 MMsINC code: MMs03651966
Type: Neutral
Formula: C23H36N2O4
SMILES:   OC(=O)c1cc(NC(=O)C(CCC)CCC)cc(NC(=O)C(CCC)CCC)c1
InChI:   InChI=1/C23H36N2O4/c1-5-9-16(10-6-2)21(26)24-19-13-18(23(28)29)14-20(15-19)25-22(27)17(11-7-3)12-8-4/h13-17H,5-12H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)

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)=75.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.551 g/mol  logS: -6.70202  SlogP: 5.6946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113035  Sterimol/B1: 4.86247  Sterimol/B2: 5.12805  Sterimol/B3: 6.12381
  Sterimol/B4: 8.91729  Sterimol/L: 18.5712 
 
 Surface and Volume Properties
  Accessible surface: 762.714  Positive charged surface: 546.691  Negative charged surface: 216.023  Volume: 422.5
  Hydrophobic surface: 532.946  Hydrophilic surface: 229.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03651967
PUBCHEM-ZINC06273132