Common name
methyl(m-tolyl)carbamothioic S-acid
IUPAC name
methyl(m-tolyl)carbamothioic S-acid
SMILES
SC(=O)N(C)c1cc(ccc1)C
Common name
methyl(m-tolyl)carbamothioic S-acid
IUPAC name
methyl(m-tolyl)carbamothioic S-acid
SMILES
SC(=O)N(C)c1cc(ccc1)C
INCHI
InChI=1S/C9H11NOS/c1-7-4-3-5-8(6-7)10(2)9(11)12/h3-6H,1-2H3,(H,11,12)
FORMULA
C9H11NOS
Common name
methyl(m-tolyl)carbamothioic S-acid
IUPAC name
methyl(m-tolyl)carbamothioic S-acid
Molecular weight
181.255
clogP
1.543
clogS
-1.961
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
59.11
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 |
|---|---|---|---|---|---|
| 2oo8_ligand_2_25.mol2 | 2oo8 | 0.785714 | -6.95 | c1(cc(ccc1)NC=O)C | 10 |
| 3be2_ligand_2_25.mol2 | 3be2 | 0.785714 | -6.77 | Cc1cc(NC=O)ccc1 | 10 |
| 2upj_ligand_2_38.mol2 | 2upj | 0.785714 | -6.67 | c1(cccc(c1)C)NC=O | 10 |
| 4xcu_ligand_1_1.mol2 | 4xcu | 0.785714 | -6.19 | O=CNc1cccc(c1)C | 10 |
| 4xcu_ligand_2_6.mol2 | 4xcu | 0.717391 | -6.27 | O=CNc1cccc(c1N)C | 11 |
| 3el7_ligand_2_9.mol2 | 3el7 | 0.6875 | -7.06 | c1(cc(ccc1)NC(=O)N)C | 11 |
| 2upj_ligand_3_136.mol2 | 2upj | 0.6875 | -6.93 | CC(=O)Nc1cccc(c1)C | 11 |
| 3efw_ligand_1_4.mol2 | 3efw | 0.6875 | -6.64 | c1ccc(cc1NC(=O)N)C | 11 |
| 4hct_ligand_2_6.mol2 | 4hct | 0.673469 | -8.15 | C(=O)Nc1cc(C(C)(C)C)ccc1 | 13 |
102 ,
11
