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DocumentationIdentifier: MM73862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73862 |
| SMILES |
CC(=O)N(C)C=CCC#N
|
| InChIKey |
ZMINMXIPVYMSKV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163233
Similarity: 0.8286
Similarity to MM163233
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424866
Similarity: 0.7857
Similarity to MM424866
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.88 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73861
Similarity: 0.7373
Similarity to MM73861
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8488 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
