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DocumentationIdentifier: MM86511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86511 |
| SMILES |
N#CC=C(C=O)C(O)C#N
|
| InChIKey |
XHZZCPHJYNUHCM-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52690
Similarity: 0.773
Similarity to MM52690
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383620
Similarity: 0.7066
Similarity to MM383620
| Tanimoto metric | 0.7066 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8281 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383622
Similarity: 0.7066
Similarity to MM383622
| Tanimoto metric | 0.7066 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8281 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
