Common name
(E)-6,6-dimethylhept-2-en-4-yne
IUPAC name
(E)-6,6-dimethylhept-2-en-4-yne
SMILES
C(C)(C)(C)C#CC=CC
Common name
(E)-6,6-dimethylhept-2-en-4-yne
IUPAC name
(E)-6,6-dimethylhept-2-en-4-yne
SMILES
C(C)(C)(C)C#CC=CC
INCHI
InChI=1S/C9H14/c1-5-6-7-8-9(2,3)4/h5-6H,1-4H3/b6-5+
FORMULA
C9H14
Common name
(E)-6,6-dimethylhept-2-en-4-yne
IUPAC name
(E)-6,6-dimethylhept-2-en-4-yne
Molecular weight
122.207
clogP
2.279
clogS
-1.604
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00717 | Terbinafine |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; Antifungals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of dermatophyte infections of the toenail or fingernail caused by susceptible fungi. Also for the treatment of tinea capitis (scalp ringworm) and tinea corporis (body ringworm) or tinea cruris (jock itch). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h0a_ligand_2_21.mol2 | 3h0a | 0.4375 | -6.10 | CC#CCC | 5 |
| 3h0a_ligand_3_55.mol2 | 3h0a | 0.333333 | -5.80 | C(C#CCC)O | 6 |
101 ,
11
