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


ANALYTICONDISCOVERY-ZINC08299520

 MMsINC code: MMs00040931
Type: Neutral
Formula: C23H38N6O4
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)C1CCNCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H38N6O4/c30-20-18(7-4-10-25-20)27-21(31)19-15-28(22(32)16-8-11-24-12-9-16)13-14-29(19)23(33)26-17-5-2-1-3-6-17/h16-19,24H,1-15H2,(H,25,30)(H,26,33)(H,27,31)/t18-,19+/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)=118.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.595 g/mol  logS: -2.15822  SlogP: -0.0641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600559  Sterimol/B1: 2.11834  Sterimol/B2: 3.40671  Sterimol/B3: 4.22545
  Sterimol/B4: 13.0874  Sterimol/L: 17.9181 
 
 Surface and Volume Properties
  Accessible surface: 758.693  Positive charged surface: 638.28  Negative charged surface: 120.413  Volume: 441.875
  Hydrophobic surface: 608.758  Hydrophilic surface: 149.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00040932
ANALYTICONDISCOVERY-ZINC08299520