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DocumentationIdentifier: MM364669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364669 |
| SMILES |
C#CCCC=CC(=O)C#C
|
| InChIKey |
ADFZKVCGRGDXQV-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170025
Similarity: 0.9178
Similarity to MM170025
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260213
Similarity: 0.8415
Similarity to MM260213
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9139 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM364603
Similarity: 0.8272
Similarity to MM364603
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9054 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
