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DocumentationIdentifier: MM459573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459573 |
| SMILES |
N#CC=CC=COC1CC1
|
| InChIKey |
TTZQEYJGMRFGTH-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM459571
Similarity: 0.7957
Similarity to MM459571
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8862 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456933
Similarity: 0.7727
Similarity to MM456933
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459555
Similarity: 0.7629
Similarity to MM459555
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8655 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
