Common name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
IUPAC name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
SMILES
C(O)C1OC(=O)NC1
Common name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
IUPAC name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
SMILES
C(O)C1OC(=O)NC1
INCHI
InChI=1S/C4H7NO3/c6-2-3-1-5-4(7)8-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
FORMULA
C4H7NO3
Common name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
IUPAC name
(5S)-5-(hydroxymethyl)oxazolidin-2-one
Molecular weight
117.103
clogP
-0.088
clogS
0.063
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
58.56
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01765 | Toloxatone |
|
Nervous System; Antidepressants; Psychoanaleptics; Monoamine Oxidase a Inhibitors; | For the treatment of depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k4f_ligand_frag_1.mol2 | 4k4f | 0.772727 | -6.42 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4v_ligand_frag_1.mol2 | 4n4v | 0.772727 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4t_ligand_frag_1.mol2 | 4n4t | 0.772727 | -6.27 | C1C(OC(=O)N1)(C)C | 8 |
| 1xm6_ligand_frag_0.mol2 | 1xm6 | 0.772727 | -5.72 | O=C1O[C@H](CN1)C | 7 |
| 2q55_ligand_frag_1.mol2 | 2q55 | 0.636364 | -5.44 | C1OC(=O)NC1 | 6 |
| 2i0a_ligand_frag_2.mol2 | 2i0a | 0.636364 | -5.33 | N1C(=O)OCC1 | 6 |
| 3mxe_ligand_frag_9.mol2 | 3mxe | 0.636364 | -5.30 | N1CCOC1=O | 6 |
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.636364 | -5.29 | C1OC(=O)NC1 | 6 |
| 3gi5_ligand_frag_2.mol2 | 3gi5 | 0.636364 | -5.29 | N1C(=O)OCC1 | 6 |
107 ,
11
