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DocumentationIdentifier: MM295750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295750 |
| SMILES |
CC(=CC#CCN)C(N)=O
|
| InChIKey |
ZORDUHVZCXVPTO-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302912
Similarity: 0.8824
Similarity to MM302912
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269735
Similarity: 0.8214
Similarity to MM269735
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.902 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295004
Similarity: 0.7826
Similarity to MM295004
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.878 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
