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


ANALYTICONDISCOVERY-ZINC04277830

 MMsINC code: MMs00035366
Type: Neutral
Formula: C23H32N4O7
SMILES:   O1CCN(CC1)C(=O)N1CCN(CC1C(=O)NC(Cc1ccc(OC)cc1)C(OC)=O)C(=O)C
InChI:   InChI=1/C23H32N4O7/c1-16(28)26-8-9-27(23(31)25-10-12-34-13-11-25)20(15-26)21(29)24-19(22(30)33-3)14-17-4-6-18(32-2)7-5-17/h4-7,19-20H,8-15H2,1-3H3,(H,24,29)/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)=209.247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.53 g/mol  logS: -2.3671  SlogP: -0.11963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792248  Sterimol/B1: 2.36162  Sterimol/B2: 3.53902  Sterimol/B3: 3.89742
  Sterimol/B4: 13.7078  Sterimol/L: 17.3805 
 
 Surface and Volume Properties
  Accessible surface: 745.482  Positive charged surface: 583.507  Negative charged surface: 161.975  Volume: 442.125
  Hydrophobic surface: 633.005  Hydrophilic surface: 112.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.