Common name
N'-benzoyl-3,5-dimethylbenzohydrazide
IUPAC name
N'-benzoyl-3,5-dimethylbenzohydrazide
SMILES
c1(cc(cc(c1)C)C)C(=O)NNC(=O)c1ccccc1
Common name
N'-benzoyl-3,5-dimethylbenzohydrazide
IUPAC name
N'-benzoyl-3,5-dimethylbenzohydrazide
SMILES
c1(cc(cc(c1)C)C)C(=O)NNC(=O)c1ccccc1
INCHI
InChI=1S/C16H16N2O2/c1-11-8-12(2)10-14(9-11)16(20)18-17-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,19)(H,18,20)
FORMULA
C16H16N2O2
Common name
N'-benzoyl-3,5-dimethylbenzohydrazide
IUPAC name
N'-benzoyl-3,5-dimethylbenzohydrazide
Molecular weight
268.310
clogP
2.714
clogS
-4.480
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01999 | tebufenozide |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mlb_ligand_3_82.mol2 | 3mlb | 0.818182 | -7.41 | C(NNC(=O)C)c1ccccc1 | 12 |
| 2cen_ligand_4_460.mol2 | 2cen | 0.818182 | -6.69 | [NH2+](NC(=O)C)Cc1ccccc1 | 12 |
| 2bqv_ligand_4_147.mol2 | 2bqv | 0.818182 | -6.66 | CC(=O)N[NH2+]Cc1ccccc1 | 12 |
| 2cem_ligand_4_460.mol2 | 2cem | 0.818182 | -6.63 | C([NH2+]NC(=O)C)c1ccccc1 | 12 |
| 2wkz_ligand_4_700.mol2 | 2wkz | 0.818182 | -6.62 | [NH2+](NC(=O)C)Cc1ccccc1 | 12 |
| 2o4k_ligand_4_1787.mol2 | 2o4k | 0.818182 | -6.50 | N(C(=O)C)[NH2+]Cc1ccccc1 | 12 |
| 3ekw_ligand_4_1787.mol2 | 3ekw | 0.818182 | -6.47 | C(c1ccccc1)[NH2+]NC(=O)C | 12 |
| 2wl0_ligand_4_700.mol2 | 2wl0 | 0.818182 | -6.46 | c1(ccccc1)C[NH2+]NC(=O)C | 12 |
| 3aid_ligand_2_51.mol2 | 3aid | 0.818182 | -6.46 | c1(ccccc1)C(=O)N[NH2+]C | 11 |
134 ,
14
