Common name
3-morpholinopropan-1-ol
IUPAC name
3-morpholinopropan-1-ol
SMILES
C(O)CCN1CCOCC1
Common name
3-morpholinopropan-1-ol
IUPAC name
3-morpholinopropan-1-ol
SMILES
C(O)CCN1CCOCC1
INCHI
InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
FORMULA
C7H15NO2
Common name
3-morpholinopropan-1-ol
IUPAC name
3-morpholinopropan-1-ol
Molecular weight
145.200
clogP
0.802
clogS
-0.683
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
32.7
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00203 | Gefitinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies. |
| 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.; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o44_ligand_4_0.mol2 | 4o44 | 1 | -5.43 | OCCC[NH+]1CCOCC1 | 10 |
| 2rfn_ligand_4_100.mol2 | 2rfn | 1 | -5.08 | [NH+]1(CCOCC1)CCCO | 10 |
| 2vrx_ligand_4_0.mol2 | 2vrx | 1 | -5.05 | C(CO)C[NH+]1CCOCC1 | 10 |
| 2itz_ligand_4_0.mol2 | 2itz | 1 | -5.03 | C([NH+]1CCOCC1)CCO | 10 |
| 2ity_ligand_4_4.mol2 | 2ity | 1 | -4.98 | OCCC[NH+]1CCOCC1 | 10 |
| 2ito_ligand_4_0.mol2 | 2ito | 1 | -4.97 | OCCC[NH+]1CCOCC1 | 10 |
| 4f6u_ligand_3_19.mol2 | 4f6u | 0.862069 | -6.51 | C(CC)[NH+]1CCOCC1 | 9 |
159 ,
16
