Responsive image

Common name

2-(1H-indol-4-yloxy)ethanol

IUPAC name

2-(1H-indol-4-yloxy)ethanol

SMILES

C(CO)Oc1c2c([nH]cc2)ccc1

Common name

2-(1H-indol-4-yloxy)ethanol

IUPAC name

2-(1H-indol-4-yloxy)ethanol

SMILES

C(CO)Oc1c2c([nH]cc2)ccc1

INCHI

InChI=1S/C10H11NO2/c12-6-7-13-10-3-1-2-9-8(10)4-5-11-9/h1-5,11-12H,6-7H2

FORMULA

C10H11NO2

Responsive image

Common name

2-(1H-indol-4-yloxy)ethanol

IUPAC name

2-(1H-indol-4-yloxy)ethanol





Molecular weight

177.200

clogP

2.206

clogS

-2.499

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

45.25

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00815 Pindolol Responsive image 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
1wv7_ligand_3_454.mol2 1wv7 0.788462 -5.68 C(C)CO[C@H]1CC[C@@H]2[C@H](C1)CC[NH2+]2 13
1qpl_ligand_2_27.mol2 1qpl 0.788462 -5.58 C1CCC(CC1)O[C@H]1CC[C@@H]2[C@H](C1)CC[N@@H+]2C 17
2iog_ligand_3_149.mol2 2iog 0.784314 -6.95 CO[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[C@H]2CC1 12
2iog_ligand_2_49.mol2 2iog 0.784314 -6.67 CO[C@@H]1C[C@@H]2[NH2+]CC[C@H]2CC1 11
3mww_ligand_1_0.mol2 3mww 0.754098 -6.79 C[N@@H+]1[C@H]2C[C@H](CC[C@@H]2C[C@H]1[C@@H]1CCOC1)C(=O)O 18
1db5_ligand_4_2.mol2 1db5 0.745098 -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 0.745098 -7.40 [C@@H]1(CC[C@@H]2[C@@H](C1)CC[NH2+]2)OC 11
1db4_ligand_4_2.mol2 1db4 0.745098 -7.39 C[C@H]1[C@@H]2[C@@H](CC[C@@H](C2)OC)[N@H+]([C@H]1C)C 14
100 , 11