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


PUBCHEM-ZINC05978856

 MMsINC code: MMs03474204
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(CCC)c1cc(ccc1)C1N(CCCOC)C(=O)C(=O)C1C(=O)c1ccncc1
InChI:   InChI=1/C23H26N2O5/c1-3-13-30-18-7-4-6-17(15-18)20-19(21(26)16-8-10-24-11-9-16)22(27)23(28)25(20)12-5-14-29-2/h4,6-11,15,19-20H,3,5,12-14H2,1-2H3/t19-,20+/m1/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)=79.3559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -3.42657  SlogP: 2.9539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17001  Sterimol/B1: 3.54728  Sterimol/B2: 4.77786  Sterimol/B3: 5.71762
  Sterimol/B4: 10.9958  Sterimol/L: 16.3623 
 
 Surface and Volume Properties
  Accessible surface: 728.507  Positive charged surface: 510.653  Negative charged surface: 217.854  Volume: 400.125
  Hydrophobic surface: 580.662  Hydrophilic surface: 147.845
 
 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


MMs03474207
PUBCHEM-ZINC05978856


MMs03474205
PUBCHEM-ZINC05978856


MMs03474206
PUBCHEM-ZINC05978856


MMs03474208
PUBCHEM-ZINC05978856