Common name
4-(methylamino)benzaldehyde
IUPAC name
4-(methylamino)benzaldehyde
SMILES
N(C)c1ccc(cc1)C=O
Common name
4-(methylamino)benzaldehyde
IUPAC name
4-(methylamino)benzaldehyde
SMILES
N(C)c1ccc(cc1)C=O
INCHI
InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
FORMULA
C8H9NO
Common name
4-(methylamino)benzaldehyde
IUPAC name
4-(methylamino)benzaldehyde
Molecular weight
135.163
clogP
1.659
clogS
-2.147
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f0r_ligand_2_0.mol2 | 3f0r | 1 | -6.81 | O=Cc1ccc(cc1)N(C)C | 11 |
| 1c3r_ligand_2_5.mol2 | 1c3r | 1 | -6.57 | c1(ccc(cc1)N(C)C)C=O | 11 |
| 2v6n_ligand.mol2 | 2v6n | 1 | -6.50 | CN(C)c1ccc(C=O)cc1 | 12 |
| 3c10_ligand_2_0.mol2 | 3c10 | 1 | -5.97 | O=Cc1ccc(cc1)N(C)C | 11 |
| 4x0u_ligand_2_0.mol2 | 4x0u | 0.885714 | -6.19 | N(c1ccc(C=O)cc1)CC | 11 |
| 4x0u_ligand_2_1.mol2 | 4x0u | 0.885714 | -6.18 | N(c1ccc(C=O)cc1)CC | 11 |
| 4x0u_ligand.mol2 | 4x0u | 0.861111 | -6.48 | C(=O)c1ccc(cc1)N(CC)CC | 14 |
| 4kmz_ligand_3_15.mol2 | 4kmz | 0.837838 | -7.06 | C(=O)(N)c1ccc(NC)cc1 | 11 |
| 4kn0_ligand_3_15.mol2 | 4kn0 | 0.837838 | -7.06 | CN(c1ccc(cc1)C(=O)N)C | 12 |
| 4lrh_ligand_3_15.mol2 | 4lrh | 0.837838 | -7.02 | N(c1ccc(cc1)C(=O)N)C | 11 |
119 ,
12
