Common name
(2E,4E)-hexa-2,4-diene
IUPAC name
(2E,4E)-hexa-2,4-diene
SMILES
C(=CC)C=CC
Common name
(2E,4E)-hexa-2,4-diene
IUPAC name
(2E,4E)-hexa-2,4-diene
SMILES
C(=CC)C=CC
INCHI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
FORMULA
C6H10
Common name
(2E,4E)-hexa-2,4-diene
IUPAC name
(2E,4E)-hexa-2,4-diene
Molecular weight
82.144
clogP
1.421
clogS
-0.719
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00749 | Dienestrol |
|
Estrogens, Non-Steroidal; Estrogens; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Synthetic Estrogens, Plain; | For use in the treatment of atrophic vaginitis and kraurosis vulvae. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_5_495.mol2 | 5d1w | 1 | -6.77 | C(=C\C)/C=C/C | 6 |
| 5d1w_ligand_5_1035.mol2 | 5d1w | 1 | -6.73 | C/C=C/C=C/C | 6 |
| 5d1w_ligand_5_1231.mol2 | 5d1w | 1 | -6.64 | C/C=C/C=C/C | 6 |
| 5d1r_ligand_5_121.mol2 | 5d1r | 1 | -6.56 | C(=C\C)/C=C/C | 6 |
| 5d1w_ligand_5_1281.mol2 | 5d1w | 1 | -6.55 | C/C=C/C=C/C | 6 |
| 5d1r_ligand_5_52.mol2 | 5d1r | 1 | -6.40 | C(=C\C=C/C)/C | 6 |
| 4ia0_ligand_5_456.mol2 | 4ia0 | 1 | -6.16 | C/C=C/C=C\C | 6 |
| 1ynd_ligand_1_6.mol2 | 1ynd | 1 | -5.60 | C/C=C/C=C\C | 6 |
| 2c92_ligand_4_285.mol2 | 2c92 | 0.857143 | -5.90 | C=C/C=C\C | 5 |
176 ,
18
