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DocumentationIdentifier: MM454708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454708 |
| SMILES |
COc1ccc(C=O)cc1
|
| InChIKey |
ZRSNZINYAWTAHE-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM454624
Similarity: 0.6626
Similarity to MM454624
| Tanimoto metric | 0.6626 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.797 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454706
Similarity: 0.6446
Similarity to MM454706
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7839 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454626
Similarity: 0.6446
Similarity to MM454626
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7839 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
