Responsive image

Common name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol

IUPAC name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol

SMILES

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

Common name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol

IUPAC name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol

SMILES

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

INCHI

InChI=1S/C11H13NO2/c1-8(13)7-14-11-4-2-3-10-9(11)5-6-12-10/h2-6,8,12-13H,7H2,1H3/t8-/m0/s1

FORMULA

C11H13NO2

Responsive image

Common name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol

IUPAC name

(2S)-1-(1H-indol-4-yloxy)propan-2-ol





Molecular weight

191.226

clogP

2.378

clogS

-2.535

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
4gmc_ligand_1_1.mol2 4gmc 0.867925 -6.85 C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@@H]1[C@H]1CCOC1 15
4gmc_ligand_frag_0.mol2 4gmc 0.867925 -6.80 C1C[C@@H]2[C@H](CC1)C[C@@H]([NH2+]2)[C@H]1CCOC1 14
1qpf_ligand_3_80.mol2 1qpf 0.851852 -5.51 C1[C@@H](C[C@H]2[C@@H](C1)[NH2+]CC2)O[C@@H]1CCCC[C@H]1OC 18
1qpl_ligand_3_55.mol2 1qpl 0.851852 -5.47 C1C[C@H]([C@@H](CC1)O[C@H]1CC[C@@H]2[C@H](C1)CC[N@@H+]2C)OC 19
1qb9_ligand_3_6.mol2 1qb9 0.849057 -6.90 C1(CC[NH2+]CC1)O[C@@H]1CC[C@H]2[C@H]([N@@H+](C)[C@@H]3[C@@H]2CCCC3)C1 21
2iog_ligand_4_321.mol2 2iog 0.846154 -7.25 C(O[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[C@H]2CC1)C 13
2iog_ligand_3_161.mol2 2iog 0.846154 -6.97 C(O[C@@H]1C[C@@H]2[NH2+]CC[C@H]2CC1)C 12
4fn5_ligand_2_10.mol2 4fn5 0.826923 -6.51 C[C@@H]1C[NH2+][C@H]2[C@H]1[C@H](CCC2)OC 12
4fn5_ligand_1_2.mol2 4fn5 0.826923 -6.21 C1C[C@H]2[C@@H](CCC[C@@H]2OC)[NH2+]1 11
1db4_ligand_6_16.mol2 1db4 0.807692 -7.72 CCCO[C@H]1CC[C@@H]2[C@H](C1)[C@H](C)[C@@H]([N@@H+]2C)C 16
100 , 11