Common name
1-(2-methoxyethyl)pyrrolidine
IUPAC name
1-(2-methoxyethyl)pyrrolidine
SMILES
C(OC)CN1CCCC1
Common name
1-(2-methoxyethyl)pyrrolidine
IUPAC name
1-(2-methoxyethyl)pyrrolidine
SMILES
C(OC)CN1CCCC1
INCHI
InChI=1S/C7H15NO/c1-9-7-6-8-4-2-3-5-8/h2-7H2,1H3
FORMULA
C7H15NO
Common name
1-(2-methoxyethyl)pyrrolidine
IUPAC name
1-(2-methoxyethyl)pyrrolidine
Molecular weight
129.200
clogP
1.239
clogS
-1.224
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dk8_ligand_3_34.mol2 | 4dk8 | 1 | -6.09 | C1CCC[NH+]1CCOC | 9 |
| 1lxf_ligand_4_8.mol2 | 1lxf | 1 | -5.15 | C(COC)[NH+]1CCCC1 | 9 |
| 1lxf_ligand_5_1.mol2 | 1lxf | 0.928571 | -5.42 | [C@@H](COC)(C)[NH+]1CCCC1 | 10 |
| 4lvt_ligand_4_1785.mol2 | 4lvt | 0.833333 | -5.28 | C([NH+]1CCOCC1)CCC | 10 |
| 3fh8_ligand_3_0.mol2 | 3fh8 | 0.807692 | -6.21 | OCC[NH+]1CCCC1 | 8 |
| 3fuj_ligand_3_0.mol2 | 3fuj | 0.807692 | -6.21 | C(O)C[NH+]1CCCC1 | 8 |
| 2y5f_ligand_4_34.mol2 | 2y5f | 0.807692 | -6.17 | CC[N+]1(CCO)CCCC1 | 10 |
| 3fum_ligand_3_19.mol2 | 3fum | 0.807692 | -6.16 | C(CO)[NH+]1CCCC1 | 8 |
| 3ful_ligand_3_19.mol2 | 3ful | 0.807692 | -6.13 | C(C[NH+]1CCCC1)O | 8 |
101 ,
11
