Common name
1-methyl-4-prop-2-ynoxybenzene
IUPAC name
1-methyl-4-prop-2-ynoxybenzene
SMILES
Cc1ccc(cc1)OCC#C
Common name
1-methyl-4-prop-2-ynoxybenzene
IUPAC name
1-methyl-4-prop-2-ynoxybenzene
SMILES
Cc1ccc(cc1)OCC#C
INCHI
InChI=1S/C10H10O/c1-3-8-11-10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
FORMULA
C10H10O
Common name
1-methyl-4-prop-2-ynoxybenzene
IUPAC name
1-methyl-4-prop-2-ynoxybenzene
Molecular weight
146.186
clogP
2.802
clogS
-2.385
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4umt_ligand_4_21.mol2 | 4umt | 1 | -7.09 | O(CC#C)c1ccc(cc1)C | 11 |
| 3gz9_ligand_4_295.mol2 | 3gz9 | 0.842105 | -6.63 | O(c1cccc(c1)C)CC#C | 11 |
| 3h0a_ligand_4_198.mol2 | 3h0a | 0.842105 | -6.52 | O(CC#C)c1cccc(C)c1 | 11 |
| 3fhe_ligand_4_56.mol2 | 3fhe | 0.823529 | -7.57 | C(C)Oc1ccc(cc1)C | 10 |
| 3fh8_ligand_4_10.mol2 | 3fh8 | 0.823529 | -7.52 | O(CC)c1ccc(C)cc1 | 10 |
| 1i7g_ligand_4_64.mol2 | 1i7g | 0.823529 | -6.98 | O(CC)c1ccc(cc1)C | 10 |
| 1i7i_ligand_4_64.mol2 | 1i7i | 0.823529 | -6.94 | C(C)Oc1ccc(cc1)C | 10 |
| 1fm9_ligand_4_260.mol2 | 1fm9 | 0.823529 | -6.92 | c1(ccc(cc1)OCC)C | 10 |
| 1nyx_ligand_4_65.mol2 | 1nyx | 0.823529 | -6.82 | C(C)Oc1ccc(cc1)C | 10 |
134 ,
14
