Compound SPK
Identifiers
- Canonical SMILES:
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
- IUPAC name:
N,N'-bis(3-ammoniopropyl)butane-1,4-diaminium
- InChi:
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4
- InChiKey:
PFNFFQXMRSDOHW-UHFFFAOYSA-R
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
446718
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 5t83 | Sept. 6, 2016 | Reiss Caroline W., Xiong Yong, Strobel Scott A.. . Structural Basis for Ligand Binding to the Guanidine-I Riboswitch Structure |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 206.25 g/mol | |||
| HBA | 0 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -3.84 | |||
| TPSA | 88.50 | |||
| RB | 11 |