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DocumentationIdentifier: MM328344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328344 |
| SMILES |
C#CC(O)CC(C#C)C#C
|
| InChIKey |
VPFDFQDFSYLPRK-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141906
Similarity: 0.8875
Similarity to MM141906
| Tanimoto metric | 0.8875 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9404 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371563
Similarity: 0.8125
Similarity to MM371563
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264692
Similarity: 0.7172
Similarity to MM264692
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8353 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
