Common name
(4S)-4-methyloxazolidin-2-one
IUPAC name
(4S)-4-methyloxazolidin-2-one
SMILES
O1CC(NC1=O)C
Common name
(4S)-4-methyloxazolidin-2-one
IUPAC name
(4S)-4-methyloxazolidin-2-one
SMILES
O1CC(NC1=O)C
INCHI
InChI=1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
FORMULA
C4H7NO2
Common name
(4S)-4-methyloxazolidin-2-one
IUPAC name
(4S)-4-methyloxazolidin-2-one
Molecular weight
101.104
clogP
0.523
clogS
-0.470
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00201 | Zolmitriptan |
|
Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the acute treatment of adult migraine with or without auras. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 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 |
| 4k4f_ligand_frag_1.mol2 | 4k4f | 0.74359 | -6.42 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4v_ligand_frag_1.mol2 | 4n4v | 0.74359 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
100 ,
11
