Compound L94
Identifiers
- Canonical SMILES:
C[NH+](C)CCC[NH+]=C(N)c1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C
- IUPAC name:
(Z,Z)-{benzene-1,4-diylbis[(Z)-aminomethylylidene]}bis{[3-(dimethylammonio)propyl]ammonium}
- InChi:
InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)/p+4
- InChiKey:
QAWYYAYHHZQCLB-UHFFFAOYSA-R
Chemistry rules
Lipinski's RO5 | Veber | Pfizer's 3/75 |
---|---|---|
External links
RNA-SM complexes
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 336.30 g/mol | |||
HBA | 0 | |||
HBD | 6 | |||
HBA + HBD | ||||
AlogP | -5.67 | |||
TPSA | 88.86 | |||
RB | 10 |