Common name
(N,3-dimethylanilino)methanethiol
IUPAC name
(N,3-dimethylanilino)methanethiol
SMILES
SCN(C)c1cc(ccc1)C
Common name
(N,3-dimethylanilino)methanethiol
IUPAC name
(N,3-dimethylanilino)methanethiol
SMILES
SCN(C)c1cc(ccc1)C
INCHI
InChI=1S/C9H13NS/c1-8-4-3-5-9(6-8)10(2)7-11/h3-6,11H,7H2,1-2H3
FORMULA
C9H13NS
Common name
(N,3-dimethylanilino)methanethiol
IUPAC name
(N,3-dimethylanilino)methanethiol
Molecular weight
167.271
clogP
2.000
clogS
-2.410
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
42.04
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00394 | Tolnaftate |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; | Tolnaftate topical is used to treat skin infections such as athlete's foot, jock itch, and ringworm infections. Tolnaftate is also used, along with other antifungals, to treat infections of the nails, scalp, palms, and soles of the feet. The powder and powder aerosol may be used to prevent athlete's foot. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vru_ligand_2_5.mol2 | 1vru | 0.764706 | -7.05 | c1(cc(ccc1)C)NC | 9 |
| 3ckp_ligand_2_56.mol2 | 3ckp | 0.764706 | -6.21 | N(C)(C)c1cccc(c1)C | 10 |
| 3ckr_ligand_2_63.mol2 | 3ckr | 0.764706 | -6.20 | c1(cccc(c1)N(C)C)C | 10 |
| 5ea5_ligand_1_8.mol2 | 5ea5 | 0.764706 | -5.97 | CNc1cc(ccc1)C | 9 |
| 5ea5_ligand_2_60.mol2 | 5ea5 | 0.702703 | -6.08 | CNc1cc(ccc1C)C | 10 |
| 4k3h_ligand_2_5.mol2 | 4k3h | 0.638889 | -7.28 | c1(ccc(cc1)N(C)C)C | 10 |
| 4k3h_ligand_2_8.mol2 | 4k3h | 0.638889 | -7.25 | c1(ccc(cc1)N(C)C)C | 10 |
| 4hj2_ligand_4_2346.mol2 | 4hj2 | 0.638889 | -6.68 | CN(C)c1ccc(cc1)C | 10 |
112 ,
12
