Common name
morpholine
IUPAC name
morpholine
SMILES
O1CCNCC1
Common name
morpholine
IUPAC name
morpholine
SMILES
O1CCNCC1
INCHI
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
FORMULA
C4H9NO
Common name
morpholine
IUPAC name
morpholine
Molecular weight
87.120
clogP
1.241
clogS
-0.677
Frequency
0.0082
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01818 | Pramocaine |
|
Dermatologicals; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | |
| FDBD01832 | Alectinib |
|
; | Alectinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive, metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
| FDBD02971 | moroxydine |
|
Fungicide | Fungicide |
| FDBD03107 | carbamorph |
|
Fungicide | Fungicide |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uwh_ligand_frag_2.mol2 | 4uwh | 1 | -5.88 | C1COCC[NH2+]1 | 6 |
| 4uwf_ligand_frag_2.mol2 | 4uwf | 1 | -5.86 | C1COCC[NH2+]1 | 6 |
| 2wxl_ligand_frag_0.mol2 | 2wxl | 1 | -5.85 | C1COCC[NH2+]1 | 6 |
| 4bfr_ligand_frag_1.mol2 | 4bfr | 1 | -5.84 | [NH2+]1CCOCC1 | 6 |
| 4urk_ligand_frag_1.mol2 | 4urk | 1 | -5.81 | [NH2+]1CCOCC1 | 6 |
| 4f6u_ligand_frag_6.mol2 | 4f6u | 1 | -5.78 | [NH2+]1CCOCC1 | 6 |
| 4l23_ligand_frag_1.mol2 | 4l23 | 1 | -5.78 | [NH2+]1CCOCC1 | 6 |
| 3apc_ligand_frag_0.mol2 | 3apc | 1 | -5.77 | C1COCC[NH2+]1 | 6 |
165 ,
17
