Common name
2-methyl-2-phenylpropan-1-ol
IUPAC name
2-methyl-2-phenylpropan-1-ol
SMILES
OCC(C)(C)c1ccccc1
Common name
2-methyl-2-phenylpropan-1-ol
IUPAC name
2-methyl-2-phenylpropan-1-ol
SMILES
OCC(C)(C)c1ccccc1
INCHI
InChI=1S/C10H14O/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
FORMULA
C10H14O
Common name
2-methyl-2-phenylpropan-1-ol
IUPAC name
2-methyl-2-phenylpropan-1-ol
Molecular weight
150.218
clogP
2.369
clogS
-2.274
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jq7_ligand_2_12.mol2 | 4jq7 | 1 | -6.71 | C(CO)c1ccccc1 | 9 |
| 4jq8_ligand_2_44.mol2 | 4jq8 | 1 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jrv_ligand_2_54.mol2 | 4jrv | 1 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jr3_ligand_2_20.mol2 | 4jr3 | 1 | -6.64 | c1(ccccc1)CCO | 9 |
| 4ciy_ligand_2_0.mol2 | 4ciy | 1 | -6.63 | C(c1ccccc1)CO | 9 |
| 4w4s_ligand_1_1.mol2 | 4w4s | 1 | -6.55 | c1cc(ccc1)CCO | 9 |
| 1i7i_ligand_3_110.mol2 | 1i7i | 1 | -6.54 | C(Cc1ccccc1)O | 9 |
| 1i7g_ligand_3_110.mol2 | 1i7g | 1 | -6.53 | OCCc1ccccc1 | 9 |
107 ,
11
