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DocumentationIdentifier: MM330835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330835 |
| SMILES |
C#CC(C#C)NC(=O)C=C
|
| InChIKey |
CLOPSYGCXZRLSC-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
MM142498
Similarity: 0.91
Similarity to MM142498
| Tanimoto metric | 0.91 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9529 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44579
Similarity: 0.74
Similarity to MM44579
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227196
Similarity: 0.7339
Similarity to MM227196
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8465 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
