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DocumentationIdentifier: MM46349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46349 |
| SMILES |
C#CCC(=O)NC=CC
|
| InChIKey |
BVOSLUGMRVXKFS-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM280518
Similarity: 0.8878
Similarity to MM280518
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280554
Similarity: 0.8788
Similarity to MM280554
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280540
Similarity: 0.8614
Similarity to MM280540
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+604 more
