Common name
(5S)-5-methyloxazolidin-2-one
IUPAC name
(5S)-5-methyloxazolidin-2-one
SMILES
CC1OC(=O)NC1
Common name
(5S)-5-methyloxazolidin-2-one
IUPAC name
(5S)-5-methyloxazolidin-2-one
SMILES
CC1OC(=O)NC1
INCHI
InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
FORMULA
C4H7NO2
Common name
(5S)-5-methyloxazolidin-2-one
IUPAC name
(5S)-5-methyloxazolidin-2-one
Molecular weight
101.104
clogP
0.523
clogS
-0.470
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00466 | Linezolid |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | For the treatment of bacterial infections caused by susceptible strains of vancomycin resistant . |
| FDBD00525 | Metaxalone |
|
Neuromuscular Agents; | For the treatment of painful peripheral musculoskeletal conditions and spasticity from upper motor neuron syndromes. |
| FDBD01394 | Rivaroxaban |
|
Antithrombotic Agents; Blood and Blood Forming Organs; Direct Factor Xa Inhibitors; Factor Xa Inhibitors; CYP3A4 Inhibitors; | Rivaroxaban is indicated for the prevention of venous thromboembolic events (VTE) in patients who have undergone total hips replacements and total knee replacement surgery; prevention of stroke and systemic embolism in patients with nonvalvular atrial fibrillation; treatment of deep vein thrombosis (DVT) and pulmonary embolism (PE); to reduce risk of recurrent DVT and/or PE. Due to a lack of safety studies, it is not recommended for use in those under 18 years old. Its use is also not recommended in those with severe renal impairment (. |
| FDBD01643 | Tedizolid Phosphate |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | Tedizolid Phosphate is an oxazolidinone antibacterial drug indicated in adults for the treatment of acute bacterial skin and skin structure infections (ABSSSI) caused by susceptible isolates of the following Gram-positive microorganisms: Staphylococcus aureus (including methicillin-resistant [MRSA] and methicillin-susceptible [MSSA] isolates), Streptococcus pyogenes, Streptococcus agalactiae, Streptococcus anginosus Group (including Streptococcus anginosus, Streptococcus intermedius, and Streptococcus constellatus), and Enterococcus faecalis. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k4f_ligand_frag_1.mol2 | 4k4f | 1 | -6.42 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4v_ligand_frag_1.mol2 | 4n4v | 1 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4t_ligand_frag_1.mol2 | 4n4t | 1 | -6.27 | C1C(OC(=O)N1)(C)C | 8 |
| 1xm6_ligand_frag_0.mol2 | 1xm6 | 1 | -5.72 | O=C1O[C@H](CN1)C | 7 |
| 2q55_ligand_frag_1.mol2 | 2q55 | 0.823529 | -5.44 | C1OC(=O)NC1 | 6 |
| 2i0a_ligand_frag_2.mol2 | 2i0a | 0.823529 | -5.33 | N1C(=O)OCC1 | 6 |
| 3mxe_ligand_frag_9.mol2 | 3mxe | 0.823529 | -5.30 | N1CCOC1=O | 6 |
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.823529 | -5.29 | C1OC(=O)NC1 | 6 |
| 3gi5_ligand_frag_2.mol2 | 3gi5 | 0.823529 | -5.29 | N1C(=O)OCC1 | 6 |
| 3gi6_ligand_frag_11.mol2 | 3gi6 | 0.823529 | -5.28 | C1OC(=O)NC1 | 6 |
136 ,
14
