Common name
3-phenyloxazolidin-2-one
IUPAC name
3-phenyloxazolidin-2-one
SMILES
c1(ccccc1)N2CCOC2=O
Common name
3-phenyloxazolidin-2-one
IUPAC name
3-phenyloxazolidin-2-one
SMILES
c1(ccccc1)N2CCOC2=O
INCHI
InChI=1S/C9H9NO2/c11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2
FORMULA
C9H9NO2
Common name
3-phenyloxazolidin-2-one
IUPAC name
3-phenyloxazolidin-2-one
Molecular weight
163.173
clogP
1.438
clogS
-1.426
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
29.54
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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 (. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q55_ligand_1_1.mol2 | 2q55 | 1 | -6.55 | C1OC(=O)N(C1)c1ccccc1 | 12 |
| 2i0a_ligand_1_1.mol2 | 2i0a | 1 | -5.92 | N1(C(=O)OCC1)c1ccccc1 | 12 |
| 3gi5_ligand_1_1.mol2 | 3gi5 | 1 | -5.91 | c1cccc(c1)N1C(=O)OCC1 | 12 |
| 3mxe_ligand_1_9.mol2 | 3mxe | 1 | -5.90 | N1(CCOC1=O)c1ccccc1 | 12 |
| 3gi4_ligand_1_10.mol2 | 3gi4 | 1 | -5.87 | c1(ccccc1)N1C(=O)OCC1 | 12 |
| 3gi6_ligand_1_11.mol2 | 3gi6 | 1 | -5.86 | c1(ccccc1)N1C(=O)OCC1 | 12 |
| 4k4f_ligand_1_1.mol2 | 4k4f | 0.890625 | -8.01 | C1C(OC(=O)N1c1ccccc1)(C)C | 14 |
| 4n4t_ligand_1_1.mol2 | 4n4t | 0.890625 | -7.81 | c1c(cccc1)N1CC(OC1=O)(C)C | 14 |
| 2w26_ligand_2_3.mol2 | 2w26 | 0.890625 | -7.01 | c1(ccccc1)N1C(=O)O[C@@H](C)C1 | 13 |
| 2i0a_ligand_2_0.mol2 | 2i0a | 0.77027 | -6.12 | N1(C(=O)OCC1)c1ccc(C(=O)C)cc1 | 15 |
102 ,
11
