Common name
1H-indol-4-ol
IUPAC name
1H-indol-4-ol
SMILES
[nH]1c2c(c(ccc2)O)cc1
Common name
1H-indol-4-ol
IUPAC name
1H-indol-4-ol
SMILES
[nH]1c2c(c(ccc2)O)cc1
INCHI
InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H
FORMULA
C8H7NO
Common name
1H-indol-4-ol
IUPAC name
1H-indol-4-ol
Molecular weight
133.147
clogP
2.096
clogS
-1.917
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
36.02
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00815 | Pindolol |
|
Antihypertensive Agents; Vasodilator Agents; Serotonin Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cs2_ligand_2_14.mol2 | 5cs2 | 0.971429 | -5.69 | C(C)(C)[N@@H+]1C[C@@H]([C@H]2[C@H]1CCCC2)CO | 14 |
| 5cs2_ligand_1_1.mol2 | 5cs2 | 0.971429 | -5.53 | [C@@H]1(C[NH2+][C@H]2[C@H]1CCCC2)CO | 11 |
| 2brp_ligand_6_165.mol2 | 2brp | 0.942857 | -7.45 | CCC[N@@H+]1[C@@H](C[C@H]2CC[C@H](C[C@H]12)O)[C@H]1CC[C@@H](CC1)O | 20 |
| 2brp_ligand_5_385.mol2 | 2brp | 0.942857 | -7.43 | O[C@@H]1CC[C@@H]2C[C@H]([N@@H+](CCC)[C@H]2C1)C1CCCCC1 | 19 |
102 ,
11
