Common name
1H-indene
IUPAC name
1H-indene
SMILES
c1ccc2c(c1)CC=C2
Common name
1H-indene
IUPAC name
1H-indene
SMILES
c1ccc2c(c1)CC=C2
INCHI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
FORMULA
C9H8
Common name
1H-indene
IUPAC name
1H-indene
Molecular weight
116.160
clogP
2.819
clogS
-2.099
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00481 | Candoxatril |
|
Prodrugs; | For treatment of hypertension, improve exercise capacity in patients with CHF receiving angiotensin converting enzyme inhibition. |
| FDBD01519 | Dimetindene |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Cholinergic Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Alkylamines; | Indicated as symptomatic treatment of allergic reactions: urticaria, allergies of the upper respiratory tract such as hey fever and perennial rhinitis, food and drug allergies; pruritus of various origins, except pruritus due to cholestasis; insect bites. Dimethindene is also indicated for pruritus in eruptive skin diseases such as chicken-pox. Dimethindene can also be used as an adjuvant in eczema and other pruriginous dermatoses of allergic origin. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eve_ligand_frag_0.mol2 | 1eve | 0.833333 | -6.80 | c1cc2c(cc1)C=CC2=O | 10 |
| 1eve_ligand_1_1.mol2 | 1eve | 0.659341 | -6.72 | c1cc2c(cc1OC)C=CC2=O | 12 |
| 4qlt_ligand_frag_0.mol2 | 4qlt | 0.659341 | -6.54 | CC1=C(Cc2c1cccc2)C(=O)N | 13 |
| 4qlu_ligand_frag_0.mol2 | 4qlu | 0.659341 | -6.49 | CC1=C(Cc2c1cccc2)C(=O)N | 13 |
| 1eve_ligand_1_0.mol2 | 1eve | 0.645161 | -6.75 | c1(cc2c(cc1)C=CC2=O)OC | 12 |
| 1zaf_ligand_frag_0.mol2 | 1zaf | 0.612245 | -7.51 | c1(cc2c(cc1)C(=CC2=O)Br)O | 12 |
| 1eve_ligand_2_0.mol2 | 1eve | 0.6 | -6.68 | c1(cc2c(cc1OC)C=CC2=O)OC | 14 |
| 4rlk_ligand_frag_2.mol2 | 4rlk | 0.526316 | -7.32 | NC1=C2C=CCC=C2c2ccccc12 | 14 |
| 4n8r_ligand.mol2 | 4n8r | 0.5 | -9.72 | CC1=C(c2c(/C/1=C\c1ccc(cc1)C(C)C)cccc2)CCc1nn[nH]n1 | 28 |
| 1zaf_ligand.mol2 | 1zaf | 0.5 | -9.45 | c1(cc2c(cc1)C(=C(C2=O)c1ccc(cc1)O)Br)O | 20 |
100 ,
11
