Common name
1,3,5-triazine
IUPAC name
1,3,5-triazine
SMILES
n1cncnc1
Common name
1,3,5-triazine
IUPAC name
1,3,5-triazine
SMILES
n1cncnc1
INCHI
InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
FORMULA
C3H3N3
Common name
1,3,5-triazine
IUPAC name
1,3,5-triazine
Molecular weight
81.076
clogP
0.860
clogS
-0.708
Frequency
0.0014
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
38.67
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00361 | Altretamine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Antineoplastic and Immunomodulating Agents; | For use as a single agent in the palliative treatment of patients with persistent or recurrent ovarian cancer following first-line therapy with a cisplatin and/or alkylating agent-based combination. |
| FDBD01205 | Almitrine |
|
Respiratory System Agents; Respiratory System; Respiratory Stimulants; | For the treatment of chronic obstructive pulmonary disease. |
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
| FDBD02836 | triflusulfuron |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vwv_ligand_frag_3.mol2 | 2vwv | 1 | -5.69 | c1ncncn1 | 6 |
| 3g6g_ligand_frag_1.mol2 | 3g6g | 1 | -5.66 | c1ncncn1 | 6 |
| 3g6h_ligand_frag_5.mol2 | 3g6h | 1 | -5.66 | c1ncncn1 | 6 |
| 3bym_ligand_frag_0.mol2 | 3bym | 1 | -5.64 | n1cncnc1 | 6 |
| 4c7t_ligand_frag_5.mol2 | 4c7t | 1 | -5.64 | c1ncncn1 | 6 |
| 2p2h_ligand_frag_2.mol2 | 2p2h | 1 | -5.62 | c1ncncn1 | 6 |
| 4brx_ligand_frag_4.mol2 | 4brx | 1 | -5.62 | c1ncncn1 | 6 |
| 4bo5_ligand_frag_2.mol2 | 4bo5 | 1 | -5.57 | c1ncncn1 | 6 |
| 4nw7_ligand_frag_3.mol2 | 4nw7 | 1 | -5.56 | c1ncncn1 | 6 |
222 ,
23
