Common name
(3S)-pent-1-yn-3-ol
IUPAC name
(3S)-pent-1-yn-3-ol
SMILES
C(#C)C(O)CC
Common name
(3S)-pent-1-yn-3-ol
IUPAC name
(3S)-pent-1-yn-3-ol
SMILES
C(#C)C(O)CC
INCHI
InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m1/s1
FORMULA
C5H8O
Common name
(3S)-pent-1-yn-3-ol
IUPAC name
(3S)-pent-1-yn-3-ol
Molecular weight
84.116
clogP
0.511
clogS
-0.118
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00078 | Ethchlorvynol |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; | Used for short-term hypnotic therapy in the management of insomnia for periods of up to one week in duration; however, this medication generally has been replaced by other sedative-hypnotic agents. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d0e_ligand_frag_0.mol2 | 3d0e | 0.727273 | -6.44 | C#CC(O)(C)C | 6 |
| 4o0y_ligand_frag_4.mol2 | 4o0y | 0.727273 | -6.37 | C#CC(O)(C)C | 6 |
| 4idv_ligand_frag_6.mol2 | 4idv | 0.727273 | -6.36 | C#CC(O)(C)C | 6 |
| 4g3e_ligand_frag_3.mol2 | 4g3e | 0.727273 | -5.75 | [C@H](O)(C#C)C | 5 |
436 ,
44
