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DocumentationIdentifier: MM377914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377914 |
| SMILES |
C=CC(=O)N(CC)CC#N
|
| InChIKey |
VUTLYFMZKCACLI-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25429
Similarity: 0.8857
Similarity to MM25429
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305489
Similarity: 0.823
Similarity to MM305489
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9029 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24504
Similarity: 0.7176
Similarity to MM24504
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8356 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
