Common name
(2R,3S)-tetralin-2,3-diol
IUPAC name
(2R,3S)-tetralin-2,3-diol
SMILES
C1(C(Cc2c(cccc2)C1)O)O
Common name
(2R,3S)-tetralin-2,3-diol
IUPAC name
(2R,3S)-tetralin-2,3-diol
SMILES
C1(C(Cc2c(cccc2)C1)O)O
INCHI
InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10+
FORMULA
C10H12O2
Common name
(2R,3S)-tetralin-2,3-diol
IUPAC name
(2R,3S)-tetralin-2,3-diol
Molecular weight
164.201
clogP
1.521
clogS
-1.280
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01049 | Nadolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; | Used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hrn_ligand_4_10.mol2 | 1hrn | 0.75 | -6.94 | c1(ccccc1)C[C@H](O)[C@@H](O)C | 12 |
| 1axs_ligand_1_1.mol2 | 1axs | 0.723404 | -8.17 | C1C[C@@H]([C@H](CC1)c1ccccc1)O | 13 |
| 1d6v_ligand_1_1.mol2 | 1d6v | 0.723404 | -8.09 | c1(ccccc1)[C@H]1CCCC[C@@H]1O | 13 |
| 2uxz_ligand_3_1.mol2 | 2uxz | 0.681818 | -7.06 | CC[C@@H](O)Cc1ccccc1 | 11 |
| 2wkz_ligand_3_77.mol2 | 2wkz | 0.681818 | -6.93 | c1(ccccc1)C[C@@H](CC)O | 11 |
| 2uy0_ligand_3_50.mol2 | 2uy0 | 0.681818 | -6.91 | CC[C@H](Cc1ccccc1)O | 11 |
| 2wl0_ligand_3_77.mol2 | 2wl0 | 0.681818 | -6.85 | c1(ccccc1)C[C@@H](CC)O | 11 |
| 2xye_ligand_3_50.mol2 | 2xye | 0.681818 | -6.83 | CC[C@H](Cc1ccccc1)O | 11 |
289 ,
29
