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


NCID-ZINC01683343

 MMsINC code: MMs02316956
Type: Neutral
Formula: C15H29N5
SMILES:   n1c(N)c(cnc1C)CNC(CCCN(CC)CC)C
InChI:   InChI=1/C15H29N5/c1-5-20(6-2)9-7-8-12(3)17-10-14-11-18-13(4)19-15(14)16/h11-12,17H,5-10H2,1-4H3,(H2,16,18,19)/t12-/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)=19.2776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.432 g/mol  logS: -1.33573  SlogP: 2.23372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549379  Sterimol/B1: 3.16971  Sterimol/B2: 3.45084  Sterimol/B3: 5.66583
  Sterimol/B4: 5.78646  Sterimol/L: 16.7642 
 
 Surface and Volume Properties
  Accessible surface: 592.412  Positive charged surface: 460.609  Negative charged surface: 131.803  Volume: 309.875
  Hydrophobic surface: 426.807  Hydrophilic surface: 165.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02316957
NCID-ZINC01683343