Common name
benzo[d][1,2,3]thiadiazole
IUPAC name
benzo[d][1,2,3]thiadiazole
SMILES
c1cc2c(cc1)snn2
Common name
benzo[d][1,2,3]thiadiazole
IUPAC name
benzo[d][1,2,3]thiadiazole
SMILES
c1cc2c(cc1)snn2
INCHI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
FORMULA
C6H4N2S
Common name
benzo[d][1,2,3]thiadiazole
IUPAC name
benzo[d][1,2,3]thiadiazole
Molecular weight
136.174
clogP
2.785
clogS
-1.961
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
54.02
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03238 | acibenzolar |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l52_ligand_frag_3.mol2 | 4l52 | 1 | -6.29 | c1c2snnc2ccc1 | 9 |
| 4l53_ligand_frag_3.mol2 | 4l53 | 1 | -6.26 | c1cccc2nnsc12 | 9 |
| 2yi0_ligand_frag_0.mol2 | 2yi0 | 0.44 | -5.52 | n1nccs1 | 5 |
| 2yi7_ligand_frag_0.mol2 | 2yi7 | 0.44 | -5.48 | n1nccs1 | 5 |
| 1r6n_ligand_frag_4.mol2 | 1r6n | 0.44 | -4.94 | c1nnsc1 | 5 |
| 4eeh_ligand_frag_0.mol2 | 4eeh | 0.35 | -6.62 | c12c[nH+][nH]c1cc(cc2)O | 10 |
| 4eft_ligand_frag_0.mol2 | 4eft | 0.35 | -6.61 | c1c(cc2[nH+][nH]cc2c1)O | 10 |
| 4efu_ligand_frag_0.mol2 | 4efu | 0.35 | -6.55 | c1c(cc2c(c1)c[nH+][nH]2)O | 10 |
105 ,
11
