Common name
1H-pyridazin-6-one
IUPAC name
1H-pyridazin-6-one
SMILES
O=c1[nH]nccc1
Common name
1H-pyridazin-6-one
IUPAC name
1H-pyridazin-6-one
SMILES
O=c1[nH]nccc1
INCHI
InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
FORMULA
C4H4N2O
Common name
1H-pyridazin-6-one
IUPAC name
1H-pyridazin-6-one
Molecular weight
96.087
clogP
1.240
clogS
-1.019
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
45.75
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02669 | credazine |
|
Herbicide | Herbicide |
| FDBD03244 | diclomezine |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1so2_ligand_frag_5.mol2 | 1so2 | 0.311111 | -6.73 | C1=NNC(=O)C[C@H]1C | 8 |
| 4elf_ligand_1_3.mol2 | 4elf | 0.278146 | -8.85 | c1(ccccc1)/C=C/C(=O)N1[NH]=Cc2ccccc2C1 | 20 |
| 4elb_ligand_1_1.mol2 | 4elb | 0.278146 | -8.22 | c1(ccccc1)/C=C/C(=O)N1[NH]=Cc2ccccc2C1 | 20 |
| 4elf_ligand_2_20.mol2 | 4elf | 0.272727 | -9.16 | Cc1cccc(c1)/C=C/C(=O)N1[NH]=Cc2ccccc2C1 | 21 |
| 4elb_ligand_2_7.mol2 | 4elb | 0.272727 | -8.51 | c1(cccc(c1)C)/C=C/C(=O)N1[NH]=Cc2ccccc2C1 | 21 |
| 4elb_ligand_frag_0.mol2 | 4elb | 0.270073 | -6.96 | O=C(N1[NH]=Cc2ccccc2C1)C=C | 14 |
| 4elf_ligand_2_2.mol2 | 4elf | 0.269231 | -9.16 | c1(ccccc1)/C=C/C(=O)N1[NH]=Cc2ccccc2[C@@H]1C | 21 |
| 4elf_ligand_3_13.mol2 | 4elf | 0.264151 | -9.47 | Cc1cccc(c1)/C=C/C(=O)N1[NH]=Cc2ccccc2[C@@H]1C | 22 |
| 1thz_ligand_frag_1.mol2 | 1thz | 0.255814 | -5.64 | N1N=C(CC1=O)C | 7 |
| 4elb_ligand_1_0.mol2 | 4elb | 0.25 | -7.96 | c1(ccccc1)[C@@H]1N(C(=O)C=C)[NH]=Cc2ccccc12 | 20 |
101 ,
11
