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DocumentationIdentifier: MM126515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126515 |
| SMILES |
COC=CC=CC=O
|
| InChIKey |
SFMPYPCCSJOTID-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM457437
Similarity: 0.8364
Similarity to MM457437
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100948
Similarity: 0.6957
Similarity to MM100948
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154413
Similarity: 0.6866
Similarity to MM154413
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8142 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+337 more
