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DocumentationIdentifier: MM385233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385233 |
| SMILES |
C#CC(C#CC=C)=CC=O
|
| InChIKey |
JATJHZDANCVFTD-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179555
Similarity: 0.8256
Similarity to MM179555
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159399
Similarity: 0.8023
Similarity to MM159399
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201517
Similarity: 0.7558
Similarity to MM201517
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
