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


IBS-ZINC05218692

 MMsINC code: MMs01932375
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(CCCC)c1ccc(cc1)C(=O)C1C(N(CCOC)C(=O)C1=O)c1ccncc1
InChI:   InChI=1/C23H26N2O5/c1-3-4-14-30-18-7-5-17(6-8-18)21(26)19-20(16-9-11-24-12-10-16)25(13-15-29-2)23(28)22(19)27/h5-12,19-20H,3-4,13-15H2,1-2H3/t19-,20+/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)=88.0074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -3.74002  SlogP: 2.9539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662625  Sterimol/B1: 4.94709  Sterimol/B2: 4.99789  Sterimol/B3: 5.46946
  Sterimol/B4: 5.89812  Sterimol/L: 19.8503 
 
 Surface and Volume Properties
  Accessible surface: 714.004  Positive charged surface: 506.598  Negative charged surface: 207.406  Volume: 399.25
  Hydrophobic surface: 575.733  Hydrophilic surface: 138.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01932376
IBS-ZINC05218692


MMs01932378
IBS-ZINC05218692


MMs01932377
IBS-ZINC05218692