Common name
(2S)-1-phenoxypropan-2-ol
IUPAC name
(2S)-1-phenoxypropan-2-ol
SMILES
C(O)(C)COc1ccccc1
Common name
(2S)-1-phenoxypropan-2-ol
IUPAC name
(2S)-1-phenoxypropan-2-ol
SMILES
C(O)(C)COc1ccccc1
INCHI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
FORMULA
C9H12O2
Common name
(2S)-1-phenoxypropan-2-ol
IUPAC name
(2S)-1-phenoxypropan-2-ol
Molecular weight
152.190
clogP
1.703
clogS
-1.629
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01157 | Penbutolol |
|
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity. |
| FDBD01823 | Levobetaxolol |
|
; | |
| FDBD01990 | pyriproxyfen |
|
Insecticide | Insecticide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b68_ligand_2_5.mol2 | 3b68 | 1 | -7.32 | c1ccc(cc1)OC[C@@H](O)C | 11 |
| 1h08_ligand_4_1.mol2 | 1h08 | 1 | -6.41 | C[C@@H](O)COc1ccccc1 | 11 |
| 4q18_ligand_3_0.mol2 | 4q18 | 1 | -6.39 | O(c1ccccc1)CC(C)(O)C | 12 |
| 1h07_ligand_4_195.mol2 | 1h07 | 1 | -6.34 | [C@H](O)(C)COc1ccccc1 | 11 |
| 3eid_ligand_4_93.mol2 | 3eid | 1 | -6.28 | C[C@H](O)COc1ccccc1 | 11 |
| 1h00_ligand_4_71.mol2 | 1h00 | 1 | -6.21 | [C@@H](O)(COc1ccccc1)C | 11 |
| 2iw6_ligand_4_205.mol2 | 2iw6 | 1 | -6.16 | [C@@H](O)(C)COc1ccccc1 | 11 |
| 1v1k_ligand_4_205.mol2 | 1v1k | 1 | -5.98 | C[C@@H](O)COc1ccccc1 | 11 |
108 ,
11
