Responsive image

Common name

[hydroxy(methyl)-λ3-sulfanyl]ethane

IUPAC name

[hydroxy(methyl)-λ3-sulfanyl]ethane

SMILES

C([S](O)C)C

Common name

[hydroxy(methyl)-λ3-sulfanyl]ethane

IUPAC name

[hydroxy(methyl)-λ3-sulfanyl]ethane

SMILES

C([S](O)C)C

INCHI

InChI=1S/C3H9OS/c1-3-5(2)4/h4H,3H2,1-2H3

FORMULA

C3H9OS

Responsive image

Common name

[hydroxy(methyl)-λ3-sulfanyl]ethane

IUPAC name

[hydroxy(methyl)-λ3-sulfanyl]ethane





Molecular weight

93.168

clogP

-1.125

clogS

-0.507

Frequency

0.0017





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00802 Fulvestrant Responsive image 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.
FDBD02097 IPSP Responsive image Insecticide Insecticide
FDBD02102 oxydemeton-methyl Responsive image Insecticide Insecticide
FDBD02103 oxydeprofos Responsive image Insecticide Insecticide
FDBD02104 oxydisulfoton Responsive image Insecticide Insecticide
5 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4j03_ligand_3_290.mol2 4j03 1 -5.76 [S@](O)(C)CC 5
4j03_ligand_3_235.mol2 4j03 1 -5.73 [S@](O)(CC)C 5
4j03_ligand_4_870.mol2 4j03 0.9 -6.07 [S](O)(CC)CC 6
1cw2_ligand_2_5.mol2 1cw2 0.777778 -5.78 C(SO)C 4
4j03_ligand_2_60.mol2 4j03 0.777778 -5.75 S(O)CC 4
4j03_ligand_2_39.mol2 4j03 0.777778 -5.72 S(O)CC 4
3blt_ligand_1_2.mol2 3blt 0.7 -5.88 C(C)[S](O)O 5
3blu_ligand_1_0.mol2 3blu 0.7 -5.88 [S](O)(O)CC 5
4nie_ligand_1_10.mol2 4nie 0.7 -5.83 [S](O)(O)CC 5
4xt9_ligand_1_3.mol2 4xt9 0.7 -5.81 C(C)[S](O)O 5
201 , 21