Common name
(4-amino-3,5-dichloro-phenyl)methanol
IUPAC name
(4-amino-3,5-dichloro-phenyl)methanol
SMILES
Nc1c(cc(cc1Cl)CO)Cl
Common name
(4-amino-3,5-dichloro-phenyl)methanol
IUPAC name
(4-amino-3,5-dichloro-phenyl)methanol
SMILES
Nc1c(cc(cc1Cl)CO)Cl
INCHI
InChI=1S/C7H7Cl2NO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3,10H2
FORMULA
C7H7Cl2NO
Common name
(4-amino-3,5-dichloro-phenyl)methanol
IUPAC name
(4-amino-3,5-dichloro-phenyl)methanol
Molecular weight
192.043
clogP
2.239
clogS
-2.800
Frequency
0.0003
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
46.25
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01183 | Clenbuterol |
|
Sympathomimetics; Bronchodilator Agents; Adrenergic beta-Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Sympathomimetics, Labour Repressants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Beta2 Agonists; | Used as a bronchodilator in the treatment of asthma patients. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fse_ligand_1_1.mol2 | 4fse | 0.794872 | -7.14 | Cc1cc(c(c(c1)Cl)N)Cl | 10 |
| 3azb_ligand_2_0.mol2 | 3azb | 0.717949 | -6.61 | c1ccc(cc1CO)Cl | 9 |
| 3gw5_ligand_frag_0.mol2 | 3gw5 | 0.717949 | -6.57 | C(O)c1cccc(c1)Cl | 9 |
| 4kp5_ligand_1_0.mol2 | 4kp5 | 0.717949 | -6.50 | c1(cc(Cl)ccc1)CO | 9 |
| 4dgg_ligand_2_9.mol2 | 4dgg | 0.717949 | -6.40 | C(c1cc(Cl)ccc1)O | 9 |
| 3asx_ligand_1_2.mol2 | 3asx | 0.717949 | -6.37 | c1ccc(Cl)cc1CO | 9 |
130 ,
14
