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DocumentationIdentifier: MM275468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275468 |
| SMILES |
C=CC(=O)NCC#CC
|
| InChIKey |
XXSJCTVSMRWDFD-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371072
Similarity: 0.9059
Similarity to MM371072
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371145
Similarity: 0.8851
Similarity to MM371145
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371189
Similarity: 0.875
Similarity to MM371189
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
