Responsive image

Common name

(1S)-1-(2-thienyl)ethanol

IUPAC name

(1S)-1-(2-thienyl)ethanol

SMILES

C(O)(c1sccc1)C

Common name

(1S)-1-(2-thienyl)ethanol

IUPAC name

(1S)-1-(2-thienyl)ethanol

SMILES

C(O)(c1sccc1)C

INCHI

InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3/t5-/m0/s1

FORMULA

C6H8OS

Responsive image

Common name

(1S)-1-(2-thienyl)ethanol

IUPAC name

(1S)-1-(2-thienyl)ethanol





Molecular weight

128.192

clogP

2.504

clogS

-1.033

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

48.47

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00349 Duloxetine Responsive image Dopamine Agents; Analgesics; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Serotonin and Noradrenaline Reuptake Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4mm6_ligand_3_16.mol2 4mm6 1 -6.22 c1(sccc1)[C@@H](O)C 8
4mm6_ligand_4_10.mol2 4mm6 0.836735 -6.45 c1(sccc1)[C@@H](O)CC 9
4mm6_ligand_2_12.mol2 4mm6 0.780488 -5.81 c1(sccc1)CO 7
4pov_ligand_1_0.mol2 4pov 0.653061 -6.39 c1sc(c(c1)C)CO 8
4pop_ligand_1_0.mol2 4pop 0.653061 -6.37 c1sc(c(c1)C)CO 8
2hdq_ligand.mol2 2hdq 0.627451 -6.43 O=C(O)c1sccc1 9
4trz_ligand_3_914.mol2 4trz 0.611111 -6.05 C(CO)Cc1cccs1 9
1ajq_ligand.mol2 1ajq 0.568966 -6.84 s1c(ccc1)CC(=O)O 10
4tmr_ligand_frag_0.mol2 4tmr 0.533333 -5.76 O=C(OC)c1cccs1 9
2ay8_ligand.mol2 2ay8 0.532258 -6.54 s1c(ccc1)CCCC(=O)O 12
193 , 20