Common name
2-chloro-5-methyl-phenol
IUPAC name
2-chloro-5-methyl-phenol
SMILES
Clc1c(cc(cc1)C)O
Common name
2-chloro-5-methyl-phenol
IUPAC name
2-chloro-5-methyl-phenol
SMILES
Clc1c(cc(cc1)C)O
INCHI
InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
FORMULA
C7H7ClO
Common name
2-chloro-5-methyl-phenol
IUPAC name
2-chloro-5-methyl-phenol
Molecular weight
142.583
clogP
2.466
clogS
-2.346
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01525 | Bupranolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Used to manage hypertension and tachycardia. Also used to treat glaucoma. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p7a_ligand_frag_0.mol2 | 2p7a | 0.870968 | -7.43 | c1c(c(cc(c1)O)C)Cl | 9 |
| 2p7a_ligand.mol2 | 2p7a | 0.870968 | -7.43 | c1c(c(C)cc(c1)O)Cl | 10 |
| 2p4y_ligand_2_12.mol2 | 2p4y | 0.870968 | -6.85 | Oc1cc(c(cc1)Cl)C | 9 |
| 2fxs_ligand_1_1.mol2 | 2fxs | 0.848485 | -6.83 | Cc1cc(cc(c1Cl)O)O | 10 |
| 4hw2_ligand_1_4.mol2 | 4hw2 | 0.84375 | -7.57 | c1(cc(c(Cl)c(c1)C)C)O | 10 |
| 4hw3_ligand_1_4.mol2 | 4hw3 | 0.84375 | -7.54 | Oc1cc(c(Cl)c(c1)C)C | 10 |
| 4wmu_ligand_1_4.mol2 | 4wmu | 0.84375 | -7.46 | c1(cc(c(Cl)c(c1)C)C)O | 10 |
179 ,
18
