Common name
4-phenylmorpholin-3-one
IUPAC name
4-phenylmorpholin-3-one
SMILES
c1ccc(cc1)N2CCOCC2=O
Common name
4-phenylmorpholin-3-one
IUPAC name
4-phenylmorpholin-3-one
SMILES
c1ccc(cc1)N2CCOCC2=O
INCHI
InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
FORMULA
C10H11NO2
Common name
4-phenylmorpholin-3-one
IUPAC name
4-phenylmorpholin-3-one
Molecular weight
177.200
clogP
1.659
clogS
-1.712
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 |
|---|---|---|---|---|---|
| 2w26_ligand_1_0.mol2 | 2w26 | 1 | -6.93 | c1ccc(cc1)N1CCOCC1=O | 13 |
| 4btt_ligand_1_7.mol2 | 4btt | 1 | -6.14 | N1(CCOCC1=O)c1ccccc1 | 13 |
| 2p4i_ligand_2_1.mol2 | 2p4i | 0.733333 | -7.43 | N(C=O)c1c(cccc1)N1CCOCC1 | 15 |
| 4btt_ligand_2_27.mol2 | 4btt | 0.732394 | -6.53 | N1(CCOCC1=O)c1c(cccc1)CC | 15 |
| 2p4i_ligand_1_0.mol2 | 2p4i | 0.730769 | -7.14 | c1(ccccc1)N1CCOCC1 | 12 |
| 3bv3_ligand_1_6.mol2 | 3bv3 | 0.730769 | -7.13 | c1ccccc1N1CCOCC1 | 12 |
| 2uue_ligand_1_0.mol2 | 2uue | 0.730769 | -6.66 | c1(ccccc1)N1CCOCC1 | 12 |
180 ,
19
