Common name
4-methoxy-1H-indole
IUPAC name
4-methoxy-1H-indole
SMILES
COc1c2c([nH]cc2)ccc1
Common name
4-methoxy-1H-indole
IUPAC name
4-methoxy-1H-indole
SMILES
COc1c2c([nH]cc2)ccc1
INCHI
InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
FORMULA
C9H9NO
Common name
4-methoxy-1H-indole
IUPAC name
4-methoxy-1H-indole
Molecular weight
147.174
clogP
2.531
clogS
-2.633
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
25.02
Number of Rings
2
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4fn5_ligand_2_10.mol2 | 4fn5 | 1 | -6.51 | C[C@@H]1C[NH2+][C@H]2[C@H]1[C@H](CCC2)OC | 12 |
| 4fn5_ligand_1_2.mol2 | 4fn5 | 1 | -6.21 | C1C[C@H]2[C@@H](CCC[C@@H]2OC)[NH2+]1 | 11 |
| 2iog_ligand_3_149.mol2 | 2iog | 0.930233 | -6.95 | CO[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[C@H]2CC1 | 12 |
| 2iog_ligand_2_49.mol2 | 2iog | 0.930233 | -6.67 | CO[C@@H]1C[C@@H]2[NH2+]CC[C@H]2CC1 | 11 |
| 1db5_ligand_4_2.mol2 | 1db5 | 0.883721 | -7.40 | [C@H]1(CC[C@@H]2[C@H](C1)[C@H]([C@@H]([N@H+]2C)C)C)OC | 14 |
| 3fuj_ligand_2_5.mol2 | 3fuj | 0.883721 | -7.40 | [C@@H]1(CC[C@@H]2[C@@H](C1)CC[NH2+]2)OC | 11 |
| 1db4_ligand_4_2.mol2 | 1db4 | 0.883721 | -7.39 | C[C@H]1[C@@H]2[C@@H](CC[C@@H](C2)OC)[N@H+]([C@H]1C)C | 14 |
| 3fuk_ligand_2_5.mol2 | 3fuk | 0.883721 | -7.32 | [C@@H]1(CC[C@H]2[C@H](C1)CC[NH2+]2)OC | 11 |
105 ,
11
