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DocumentationIdentifier: MM379016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379016 |
| SMILES |
C#CC(=C)C(C#C)NC=O
|
| InChIKey |
YZABTUQJLXGNOG-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52323
Similarity: 0.7817
Similarity to MM52323
| Tanimoto metric | 0.7817 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8775 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50223
Similarity: 0.7535
Similarity to MM50223
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8594 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295340
Similarity: 0.6446
Similarity to MM295340
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7839 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
