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DocumentationIdentifier: MM80265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80265 |
| SMILES |
C#CC(=O)NC(C#C)C#C
|
| InChIKey |
OBOPOLJMZHNNGU-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142514
Similarity: 0.9
Similarity to MM142514
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44579
Similarity: 0.8222
Similarity to MM44579
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264825
Similarity: 0.7364
Similarity to MM264825
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8482 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
