Common name
2-pyrrolidin-1-ylethanol
IUPAC name
2-pyrrolidin-1-ylethanol
SMILES
C(O)CN1CCCC1
Common name
2-pyrrolidin-1-ylethanol
IUPAC name
2-pyrrolidin-1-ylethanol
SMILES
C(O)CN1CCCC1
INCHI
InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2
FORMULA
C6H13NO
Common name
2-pyrrolidin-1-ylethanol
IUPAC name
2-pyrrolidin-1-ylethanol
Molecular weight
115.174
clogP
0.794
clogS
-0.504
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
23.47
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 3fh8_ligand_3_0.mol2 | 3fh8 | 1 | -6.21 | OCC[NH+]1CCCC1 | 8 |
| 3fuj_ligand_3_0.mol2 | 3fuj | 1 | -6.21 | C(O)C[NH+]1CCCC1 | 8 |
| 2y5f_ligand_4_34.mol2 | 2y5f | 1 | -6.17 | CC[N+]1(CCO)CCCC1 | 10 |
| 3fum_ligand_3_19.mol2 | 3fum | 1 | -6.16 | C(CO)[NH+]1CCCC1 | 8 |
| 3ful_ligand_3_19.mol2 | 3ful | 1 | -6.13 | C(C[NH+]1CCCC1)O | 8 |
| 2y5f_ligand_3_34.mol2 | 2y5f | 1 | -6.01 | C(CO)[N+]1(C)CCCC1 | 9 |
| 1b6j_ligand_2_23.mol2 | 1b6j | 1 | -5.96 | [NH+]1(CCCC1)CCO | 8 |
| 2y5f_ligand_2_20.mol2 | 2y5f | 1 | -5.90 | C(CO)[NH+]1CCCC1 | 8 |
| 1cpi_ligand_2_33.mol2 | 1cpi | 1 | -5.85 | C(O)C[NH+]1CCCC1 | 8 |
| 1d3p_ligand_3_164.mol2 | 1d3p | 1 | -5.79 | OCC[NH+]1CCCC1 | 8 |
108 ,
11
