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


PUBCHEM-ZINC06596393

 MMsINC code: MMs03814450
Type: Neutral
Formula: C23H42N4O3
SMILES:   O=C(N1CC(N(CC1)C(=O)NC1CCCCC1)C)C(NC(=O)C(C)(C)C)C(CC)C
InChI:   InChI=1/C23H42N4O3/c1-7-16(2)19(25-21(29)23(4,5)6)20(28)26-13-14-27(17(3)15-26)22(30)24-18-11-9-8-10-12-18/h16-19H,7-15H2,1-6H3,(H,24,30)(H,25,29)/t16-,17-,19+/m1/s1

Download   format file 
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)=101.766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.614 g/mol  logS: -3.54332  SlogP: 3.1384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791385  Sterimol/B1: 2.41751  Sterimol/B2: 4.22954  Sterimol/B3: 5.3133
  Sterimol/B4: 8.88235  Sterimol/L: 19.8107 
 
 Surface and Volume Properties
  Accessible surface: 725.168  Positive charged surface: 548.41  Negative charged surface: 176.757  Volume: 440
  Hydrophobic surface: 569.283  Hydrophilic surface: 155.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.