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


NCID-ZINC05543643

 MMsINC code: MMs02473042
Type: Neutral
Formula: C24H40N6O2
SMILES:   O=C1N(CC(NC2CCCCC2)CNC2CCCCC2)C(=O)N(c2ncn(c12)CC)CC
InChI:   InChI=1/C24H40N6O2/c1-3-28-17-26-22-21(28)23(31)30(24(32)29(22)4-2)16-20(27-19-13-9-6-10-14-19)15-25-18-11-7-5-8-12-18/h17-20,25,27H,3-16H2,1-2H3/t20-/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)=7.02742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.624 g/mol  logS: -3.81891  SlogP: 3.7847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208163  Sterimol/B1: 2.43481  Sterimol/B2: 5.58931  Sterimol/B3: 5.83312
  Sterimol/B4: 8.6278  Sterimol/L: 17.6938 
 
 Surface and Volume Properties
  Accessible surface: 730.133  Positive charged surface: 581.296  Negative charged surface: 148.837  Volume: 451.875
  Hydrophobic surface: 629.744  Hydrophilic surface: 100.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02473043
NCID-ZINC05543643