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


ANALYTICONDISCOVERY-ZINC05414749

 MMsINC code: MMs00037023
Type: Neutral
Formula: C24H39N5O4
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)C1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H39N5O4/c30-21-19(12-7-13-25-21)27-22(31)20-16-28(23(32)17-8-3-1-4-9-17)14-15-29(20)24(33)26-18-10-5-2-6-11-18/h17-20H,1-16H2,(H,25,30)(H,26,33)(H,27,31)/t19-,20+/m0/s1

Download   format file 
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)=122.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.607 g/mol  logS: -3.93694  SlogP: 1.5166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668345  Sterimol/B1: 3.01986  Sterimol/B2: 4.89836  Sterimol/B3: 7.32035
  Sterimol/B4: 8.02686  Sterimol/L: 17.5189 
 
 Surface and Volume Properties
  Accessible surface: 754.352  Positive charged surface: 623.482  Negative charged surface: 130.869  Volume: 449.125
  Hydrophobic surface: 637.946  Hydrophilic surface: 116.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.