Common name
[hydroxy(methyl)-λ3-sulfanyl]methane
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]methane
SMILES
C[S](O)C
Common name
[hydroxy(methyl)-λ3-sulfanyl]methane
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]methane
SMILES
C[S](O)C
INCHI
InChI=1S/C2H7OS/c1-4(2)3/h3H,1-2H3
FORMULA
C2H7OS
Common name
[hydroxy(methyl)-λ3-sulfanyl]methane
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]methane
Molecular weight
79.141
clogP
-1.389
clogS
-0.072
Frequency
0.0014
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00609 | Modafinil |
|
Central Nervous System Stimulants; Appetite Depressants; Neuroprotective Agents; Stimulants; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Wakefulness-Promoting Agents; | To improve wakefulness in patients with excessive daytime sleepiness (EDS) associated with narcolepsy. |
| FDBD00802 | Fulvestrant |
|
Antineoplastic Agents; Antineoplastic Agents, Hormonal; Estrogen Antagonists; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; CYP3A4 Inhibitors; Estrogen Receptor Antagonists; | For the treatment of hormone receptor positive metastatic breast cancer in postmenopausal women with disease progression following anti-estrogen therapy. |
| FDBD00943 | Dimethyl sulfoxide |
|
Free Radical Scavengers; Solvents; Cryoprotective Agents; Genito Urinary System and Sex Hormones; Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Urological Agents; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the symptomatic relief of patients with interstitial cystitis. |
| FDBD01414 | Armodafinil |
|
Central Nervous System Stimulants; Neuroprotective Agents; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Wakefulness-Promoting Agents; | Investigated for use/treatment in sleep disorders, obstructive sleep apnea, schizophrenia and schizoaffective disorders, depression, and bipolar disorders. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4j03_ligand_2_50.mol2 | 4j03 | 1 | -5.42 | [S](O)(C)C | 4 |
| 1d7i_ligand_1_0.mol2 | 1d7i | 1 | -5.41 | C[S](O)C | 4 |
| 1d7i_ligand_frag_0.mol2 | 1d7i | 0.8 | -5.46 | S(O)C | 3 |
| 1cw2_ligand_1_1.mol2 | 1cw2 | 0.8 | -5.45 | CSO | 3 |
| 4j03_ligand_1_5.mol2 | 4j03 | 0.8 | -5.42 | S(O)C | 3 |
| 4j03_ligand_1_4.mol2 | 4j03 | 0.8 | -5.41 | S(O)C | 3 |
| 3dx2_ligand_frag_0.mol2 | 3dx2 | 0.8 | -5.34 | OSC | 3 |
| 6std_ligand_frag_4.mol2 | 6std | 0.8 | -5.28 | OSC | 3 |
149 ,
15
