Common name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
SMILES
[S](O)(O)Nc1cc(ccc1)C
Common name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
SMILES
[S](O)(O)Nc1cc(ccc1)C
INCHI
InChI=1S/C7H10NO2S/c1-6-3-2-4-7(5-6)8-11(9)10/h2-5,8-10H,1H3
FORMULA
C7H10NO2S
Common name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline
Molecular weight
172.225
clogP
-0.947
clogS
-1.190
Frequency
0.0003
HBond Acceptor
2
HBond Donor
3
Total PolarSurface Area
52.49
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00787 | Tipranavir |
|
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4p_ligand_2_49.mol2 | 2o4p | 1 | -6.85 | Cc1cccc(N[S](O)O)c1 | 11 |
| 2o4n_ligand_2_49.mol2 | 2o4n | 1 | -6.83 | Cc1cccc(N[S](O)O)c1 | 11 |
| 2o4l_ligand_2_49.mol2 | 2o4l | 1 | -6.77 | N([S](O)O)c1cccc(c1)C | 11 |
| 1d4y_ligand_2_46.mol2 | 1d4y | 1 | -6.72 | Cc1cc(ccc1)N[S](O)O | 11 |
| 1uvt_ligand_1_5.mol2 | 1uvt | 1 | -6.64 | c1cc(cc(c1)N[S](O)O)C | 11 |
| 1hpo_ligand_2_7.mol2 | 1hpo | 1 | -6.57 | N([S](O)O)c1cc(ccc1)C | 11 |
| 7upj_ligand_2_7.mol2 | 7upj | 1 | -6.47 | N([S](O)O)c1cc(C)ccc1 | 11 |
| 4u6r_ligand_1_5.mol2 | 4u6r | 0.96875 | -7.56 | c1c(cc(c2c1cccc2)N[S](O)O)C | 15 |
134 ,
14
