Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation3-Methylphenol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00208 |
| SMILES |
Cc1cccc(O)c1
|
| InChIKey |
RLSSMJSEOOYNOY-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
342
|
|
DrugBank |
DB01776
|
|
ChEBI |
17231
|
|
PDB |
CRS
|
|
ChEMBL |
CHEMBL298312
|
Similar entries
3,4-Xylenol
Similarity: 0.7227
Similarity to 3,4-Xylenol
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
P-Cresol
Similarity: 0.7128
Similarity to P-Cresol
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8323 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-methylphenol
Similarity: 0.6827
Similarity to 2-methylphenol
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8114 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
