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


ANALYTICONDISCOVERY-ZINC03838631

 MMsINC code: MMs00026025
Type: Neutral
Formula: C26H38N4O5
SMILES:   O(C(=O)C(NC(=O)C1N(CCN(C1)C(=O)c1ccc(N(C)C)cc1)C(=O)C)CC1CCC
CC1)C
InChI:   InChI=1/C26H38N4O5/c1-18(31)30-15-14-29(25(33)20-10-12-21(13-11-20)28(2)3)17-23(30)24(32)27-22(26(34)35-4)16-19-8-6-5-7-9-19/h10-13,19,22-23H,5-9,14-17H2,1-4H3,(H,27,32)/t22-,23-/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)=179.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.613 g/mol  logS: -5.15899  SlogP: 2.0537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101127  Sterimol/B1: 2.7243  Sterimol/B2: 3.30487  Sterimol/B3: 5.06229
  Sterimol/B4: 11.1594  Sterimol/L: 18.4651 
 
 Surface and Volume Properties
  Accessible surface: 787.999  Positive charged surface: 619.593  Negative charged surface: 168.406  Volume: 476.5
  Hydrophobic surface: 692.941  Hydrophilic surface: 95.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.