Common name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
IUPAC name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
SMILES
C(O)C(C)N1CCCC1
Common name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
IUPAC name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
SMILES
C(O)C(C)N1CCCC1
INCHI
InChI=1S/C7H15NO/c1-7(6-9)8-4-2-3-5-8/h7,9H,2-6H2,1H3/t7-/m1/s1
FORMULA
C7H15NO
Common name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
IUPAC name
(2R)-2-pyrrolidin-1-ylpropan-1-ol
Molecular weight
129.200
clogP
0.920
clogS
-0.553
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 |
|---|---|---|---|---|---|
| 1xpc_ligand_3_19.mol2 | 1xpc | 1 | -6.31 | OC[C@@H](C)[NH+]1CCCC1 | 9 |
| 1xp9_ligand_3_19.mol2 | 1xp9 | 1 | -6.24 | [NH+]1(CCCC1)[C@H](CO)C | 9 |
| 1lxf_ligand_4_0.mol2 | 1lxf | 1 | -5.50 | [C@@H](CO)(C)[NH+]1CCCC1 | 9 |
| 3fh8_ligand_3_0.mol2 | 3fh8 | 0.954545 | -6.21 | OCC[NH+]1CCCC1 | 8 |
| 3fuj_ligand_3_0.mol2 | 3fuj | 0.954545 | -6.21 | C(O)C[NH+]1CCCC1 | 8 |
| 2y5f_ligand_4_34.mol2 | 2y5f | 0.954545 | -6.17 | CC[N+]1(CCO)CCCC1 | 10 |
| 3fum_ligand_3_19.mol2 | 3fum | 0.954545 | -6.16 | C(CO)[NH+]1CCCC1 | 8 |
| 3ful_ligand_3_19.mol2 | 3ful | 0.954545 | -6.13 | C(C[NH+]1CCCC1)O | 8 |
| 2y5f_ligand_3_34.mol2 | 2y5f | 0.954545 | -6.01 | C(CO)[N+]1(C)CCCC1 | 9 |
| 1b6j_ligand_2_23.mol2 | 1b6j | 0.954545 | -5.96 | [NH+]1(CCCC1)CCO | 8 |
110 ,
12
