Common name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
IUPAC name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
SMILES
c1(ccccc1)c2nnc(c(c2)C)NC
Common name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
IUPAC name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
SMILES
c1(ccccc1)c2nnc(c(c2)C)NC
INCHI
InChI=1S/C12H13N3/c1-9-8-11(14-15-12(9)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,15)
FORMULA
C12H13N3
Common name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
IUPAC name
N,4-dimethyl-6-phenyl-pyridazin-3-amine
Molecular weight
199.252
clogP
2.616
clogS
-4.092
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.81
Number of Rings
2
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f9w_ligand.mol2 | 4f9w | 0.715596 | -9.86 | CN(C)c1nnc(c(c2ccncc2)c1)c1cc2ccccc2cc1 | 26 |
| 4f9y_ligand.mol2 | 4f9y | 0.715596 | -9.58 | CN(C)c1nnc(c(c2ccncc2)c1)c1c2ccccc2ccc1 | 26 |
| 4r3c_ligand.mol2 | 4r3c | 0.614173 | -9.85 | C[NH+]1CCN(CC1)c1cc(c2ccncc2)c(nn1)c1cc2ccccc2cc1 | 30 |
| 1yqj_ligand.mol2 | 1yqj | 0.523179 | -11.32 | c1(nnc(c(c2ccncc2)c1)c1cc2c(cc1)cccc2)N1C[C@H](Cc2ccccc2)[NH2+]CC1 | 36 |
| 4ibm_ligand_1_1.mol2 | 4ibm | 0.5 | -7.76 | c1(ccccc1)c1cc2cccc[n+]2[nH]1 | 15 |
| 4zom_ligand_1_0.mol2 | 4zom | 0.495495 | -7.59 | c1c(cccc1)c1cc(NC(=O)C)[nH+][nH]1 | 15 |
| 3dne_ligand.mol2 | 3dne | 0.494949 | -8.17 | c12ccccc1[nH]nc2c1ccncc1 | 16 |
| 1xor_ligand_1_0.mol2 | 1xor | 0.494737 | -7.64 | O=c1[nH]nc(cc1)c1ccccc1 | 13 |
| 1mkd_ligand_1_0.mol2 | 1mkd | 0.494737 | -7.03 | c1(ccccc1)c1n[nH]c(=O)cc1 | 13 |
| 3hqy_ligand_3_16.mol2 | 3hqy | 0.494505 | -7.40 | c1c(c([nH+][nH]1)c1ccc(cc1)O)C | 13 |
100 ,
11
