Common name
morpholin-3-one
IUPAC name
morpholin-3-one
SMILES
O1CCNC(=O)C1
Common name
morpholin-3-one
IUPAC name
morpholin-3-one
SMILES
O1CCNC(=O)C1
INCHI
InChI=1S/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
FORMULA
C4H7NO2
Common name
morpholin-3-one
IUPAC name
morpholin-3-one
Molecular weight
101.104
clogP
0.840
clogS
-0.593
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 |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|
| 1utt_ligand_frag_1.mol2 | 1utt | 1 | -5.76 | C1CNC(=O)CO1 | 7 |
| 2w26_ligand_frag_0.mol2 | 2w26 | 1 | -5.69 | C1NC(=O)COC1 | 7 |
| 4btt_ligand_frag_8.mol2 | 4btt | 1 | -5.53 | N1CCOCC1=O | 7 |
| 4jve_ligand_frag_1.mol2 | 4jve | 1 | -5.21 | C1NC(=O)COC1 | 7 |
| 4ogv_ligand_frag_1.mol2 | 4ogv | 1 | -5.14 | C1OCC(=O)NC1 | 7 |
| 4jwr_ligand_frag_1.mol2 | 4jwr | 1 | -5.10 | C1OCC(=O)NC1 | 7 |
| 4occ_ligand_frag_1.mol2 | 4occ | 1 | -5.10 | C1OCC(=O)NC1 | 7 |
| 4oba_ligand_frag_1.mol2 | 4oba | 1 | -5.07 | C1OCC(=O)NC1 | 7 |
| 1utt_ligand_1_1.mol2 | 1utt | 0.966667 | -5.91 | CN1CCOCC1=O | 8 |
| 4jv9_ligand_frag_1.mol2 | 4jv9 | 0.966667 | -5.31 | C1N(C(=O)COC1)C | 8 |
112 ,
12
