Common name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
SMILES
Clc1cc2c(cc1)S(=O)(=O)N(CN2)C
Common name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
SMILES
Clc1cc2c(cc1)S(=O)(=O)N(CN2)C
INCHI
InChI=1S/C8H9ClN2O2S/c1-11-5-10-7-4-6(9)2-3-8(7)14(11,12)13/h2-4,10H,5H2,1H3
FORMULA
C8H9ClN2O2S
Common name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-2-methyl-3,4-dihydrobenzo[e][1,2,4]thiadiazine 1,1-dioxide
Molecular weight
232.687
clogP
0.701
clogS
-2.539
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00120 | Methyclothiazide |
|
Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; | For use in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension. Also used as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. |
| FDBD01130 | Polythiazide |
|
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; | Polythiazide is a thiazide diuretic used to decrease edema and decrease blood pressure. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n07_ligand_frag_1.mol2 | 4n07 | 0.781818 | -6.85 | N1CNS(=O)(=O)c2c1ccc(F)c2 | 13 |
| 4n07_ligand.mol2 | 4n07 | 0.690476 | -7.38 | C1CC1N1CNS(=O)(=O)c2c1ccc(F)c2 | 17 |
| 4u4x_ligand.mol2 | 4u4x | 0.588652 | -7.02 | C1NS(=O)(=O)c2ncccc2N1CC | 15 |
| 4u4s_ligand.mol2 | 4u4s | 0.586466 | -6.93 | c1nccc2N(CNS(=O)(=O)c12)CC | 15 |
| 1zfk_ligand.mol2 | 1zfk | 0.516949 | -7.91 | S(=O)(=O)(N)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 25 |
| 4b85_ligand_2_0.mol2 | 4b85 | 0.434343 | -6.97 | c1(ccc(cc1)Cl)S(=O)(=O)NC | 12 |
| 4uuq_ligand_2_1.mol2 | 4uuq | 0.434343 | -6.70 | N(S(=O)(=O)c1ccc(cc1)Cl)C | 12 |
| 2kfx_ligand_2_0.mol2 | 2kfx | 0.43 | -7.61 | CNS(=O)(=O)c1cccc2c1cccc2Cl | 16 |
154 ,
16
