Common name
(1E)-1-methoxy-3-(methyl-λ3-oxidanylidene)prop-1-en-1-ol
IUPAC name
(1E)-1-methoxy-3-(methyl-l3-oxidanylidene)prop-1-en-1-ol
SMILES
C/[O]=C/C=C(O)/OC
Common name
(1E)-1-methoxy-3-(methyl-λ3-oxidanylidene)prop-1-en-1-ol
IUPAC name
(1E)-1-methoxy-3-(methyl-l3-oxidanylidene)prop-1-en-1-ol
SMILES
C/[O]=C/C=C(O)/OC
INCHI
C5H9O3
FORMULA
117.12
Common name
(1E)-1-methoxy-3-(methyl-λ3-oxidanylidene)prop-1-en-1-ol
IUPAC name
(1E)-1-methoxy-3-(methyl-l3-oxidanylidene)prop-1-en-1-ol
Molecular weight
116.115
clogP
0.157
clogS
-0.120
Frequency
0.0024
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.53
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02977 | azoxystrobin |
|
Fungicide | Fungicide |
| FDBD02979 | coumoxystrobin |
|
Fungicide | Fungicide |
| FDBD02980 | enoxastrobin |
|
Fungicide | Fungicide |
| FDBD02981 | flufenoxystrobin |
|
Fungicide | Fungicide |
| FDBD02982 | jiaxiangjunzhi |
|
Fungicide | Fungicide |
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
| FDBD02984 | pyraoxystrobin |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m7y_ligand_2_33.mol2 | 1m7y | 0.192308 | -5.20 | COC=C | 4 |
| 4ijq_ligand_4_195.mol2 | 4ijq | 0.166667 | -5.25 | C/C=C\OC | 5 |
| 4ijq_ligand_4_85.mol2 | 4ijq | 0.166667 | -5.13 | C/C=C\OC | 5 |
| 2it4_ligand.mol2 | 2it4 | 0.151515 | -5.79 | C(=O)(O)P(O)(O)O | 8 |
| 1q6t_ligand_3_363.mol2 | 1q6t | 0.151515 | -5.12 | C(C)(C)/C=C/OC | 7 |
| 1m7y_ligand_3_83.mol2 | 1m7y | 0.142857 | -5.32 | C(C[NH3+])OC=C | 6 |
112 ,
12
