Common name
(1S)-2-methyl-1-phenylpropan-1-ol
IUPAC name
(1S)-2-methyl-1-phenylpropan-1-ol
SMILES
c1(ccccc1)[C@H](C(C)C)O
Common name
(1S)-2-methyl-1-phenylpropan-1-ol
IUPAC name
(1S)-2-methyl-1-phenylpropan-1-ol
SMILES
c1(ccccc1)[C@H](C(C)C)O
INCHI
InChI=1S/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-/m0/s1
FORMULA
C10H14O
Common name
(1S)-2-methyl-1-phenylpropan-1-ol
IUPAC name
(1S)-2-methyl-1-phenylpropan-1-ol
Molecular weight
150.218
clogP
2.352
clogS
-1.918
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD03066 | ipfentrifluconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ohk_ligand_2_7.mol2 | 4ohk | 1 | -6.96 | CC[C@@H](O)c1ccccc1 | 10 |
| 3chs_ligand_2_27.mol2 | 3chs | 0.821429 | -7.46 | c1(ccccc1)[C@H](O)C | 9 |
| 2bys_ligand_2_14.mol2 | 2bys | 0.821429 | -7.28 | C[C@@H](O)c1ccccc1 | 9 |
| 2y56_ligand_2_5.mol2 | 2y56 | 0.821429 | -6.93 | C[C@H](O)c1ccccc1 | 9 |
| 4ly9_ligand_frag_4.mol2 | 4ly9 | 0.821429 | -6.85 | c1ccc(cc1)[C@H](O)C | 9 |
| 4op2_ligand_frag_3.mol2 | 4op2 | 0.821429 | -6.85 | c1ccc(cc1)[C@@H](O)C | 9 |
| 4mm8_ligand_3_16.mol2 | 4mm8 | 0.821429 | -6.75 | c1(ccccc1)[C@@H](C)O | 9 |
321 ,
33
