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DocumentationIdentifier: MM386621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386621 |
| SMILES |
C#CC(=COC=C)CC=C
|
| InChIKey |
PRHJQCRABYYLPU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201836
Similarity: 0.7732
Similarity to MM201836
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386583
Similarity: 0.7304
Similarity to MM386583
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8442 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386623
Similarity: 0.7094
Similarity to MM386623
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.83 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
