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DocumentationIdentifier: MM78253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78253 |
| SMILES |
C#CC(C#C)(C#C)NC=O
|
| InChIKey |
JEVZQRZWBJSLOR-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42446
Similarity: 0.9474
Similarity to MM42446
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103136
Similarity: 0.7763
Similarity to MM103136
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76795
Similarity: 0.699
Similarity to MM76795
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8229 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
