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


ANALYTICONDISCOVERY-ZINC04147974

 MMsINC code: MMs00029235
Type: Neutral
Formula: C24H29N5O6
SMILES:   O(C(=O)C(NC(=O)C1N(CCN(C1)C(=O)Nc1ccccc1)C(=O)COC)Cc1cccnc1)
C
InChI:   InChI=1/C24H29N5O6/c1-34-16-21(30)29-12-11-28(24(33)26-18-8-4-3-5-9-18)15-20(29)22(31)27-19(23(32)35-2)13-17-7-6-10-25-14-17/h3-10,14,19-20H,11-13,15-16H2,1-2H3,(H,26,33)(H,27,31)/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)=164.596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.525 g/mol  logS: -2.83223  SlogP: 0.67317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644274  Sterimol/B1: 2.1249  Sterimol/B2: 2.39615  Sterimol/B3: 5.15703
  Sterimol/B4: 12.6474  Sterimol/L: 19.2598 
 
 Surface and Volume Properties
  Accessible surface: 759.502  Positive charged surface: 559.1  Negative charged surface: 200.402  Volume: 449.875
  Hydrophobic surface: 648.211  Hydrophilic surface: 111.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.