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


OTAVA-ZINC04615790

 MMsINC code: MMs02584981
Type: Neutral
Formula: C23H28N4O4
SMILES:   O=C(N)c1ccccc1NC(=O)CCCCCCCC(=O)Nc1ccccc1C(=O)N
InChI:   InChI=1/C23H28N4O4/c24-22(30)16-10-6-8-12-18(16)26-20(28)14-4-2-1-3-5-15-21(29)27-19-13-9-7-11-17(19)23(25)31/h6-13H,1-5,14-15H2,(H2,24,30)(H2,25,31)(H,26,28)(H,27,29)

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)=89.1146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.501 g/mol  logS: -5.80068  SlogP: 3.1923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00718046  Sterimol/B1: 2.20742  Sterimol/B2: 3.16225  Sterimol/B3: 3.361
  Sterimol/B4: 6.49582  Sterimol/L: 24.2663 
 
 Surface and Volume Properties
  Accessible surface: 766.175  Positive charged surface: 510.246  Negative charged surface: 255.928  Volume: 406.875
  Hydrophobic surface: 514.92  Hydrophilic surface: 251.255
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.