Common name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
IUPAC name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
SMILES
C(C1OC(=O)N(C1)c2ccccc2)NC=O
Common name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
IUPAC name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
SMILES
C(C1OC(=O)N(C1)c2ccccc2)NC=O
INCHI
InChI=1S/C11H12N2O3/c14-8-12-6-10-7-13(11(15)16-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,12,14)/t10-/m0/s1
FORMULA
C11H12N2O3
Common name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
IUPAC name
N-[[(5S)-2-oxo-3-phenyl-oxazolidin-5-yl]methyl]formamide
Molecular weight
220.225
clogP
0.661
clogS
-1.618
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
58.64
Number of Rings
2
Rotatable Bond
3
| 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_3_0.mol2 | 2q55 | 0.869048 | -6.84 | [C@@H]1(OC(=O)N(C1)c1ccccc1)C(=O)NC | 16 |
| 2i0a_ligand_3_66.mol2 | 2i0a | 0.869048 | -6.22 | N1(C(=O)O[C@@H](C1)C(=O)NC)c1ccccc1 | 16 |
| 2q54_ligand_3_448.mol2 | 2q54 | 0.869048 | -6.20 | c1(ccccc1)N1C[C@@H](C(=O)NC)OC1=O | 16 |
| 3gi5_ligand_3_55.mol2 | 3gi5 | 0.869048 | -6.20 | CNC(=O)[C@H]1OC(=O)N(c2ccccc2)C1 | 16 |
| 3mxe_ligand_3_204.mol2 | 3mxe | 0.869048 | -6.19 | N1(C[C@H](OC1=O)C(=O)NC)c1ccccc1 | 16 |
| 2i0d_ligand_3_279.mol2 | 2i0d | 0.869048 | -6.16 | CNC(=O)[C@H]1OC(=O)N(c2ccccc2)C1 | 16 |
| 3gi4_ligand_3_213.mol2 | 3gi4 | 0.869048 | -6.15 | c1(ccccc1)N1C(=O)O[C@@H](C1)C(=O)NC | 16 |
| 3gi6_ligand_3_279.mol2 | 3gi6 | 0.869048 | -6.14 | c1(ccccc1)N1C(=O)O[C@@H](C1)C(=O)NC | 16 |
| 4k4f_ligand_1_1.mol2 | 4k4f | 0.864865 | -8.01 | C1C(OC(=O)N1c1ccccc1)(C)C | 14 |
| 4n4t_ligand_1_1.mol2 | 4n4t | 0.864865 | -7.81 | c1c(cccc1)N1CC(OC1=O)(C)C | 14 |
111 ,
12
