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DocumentationIdentifier: MM51416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51416 |
| SMILES |
C#CC(CC#N)NCC=O
|
| InChIKey |
KMXSCUNWIWOUQA-UHFFFAOYSA-N
|
| MW [Da] |
136.15
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
MM44943
Similarity: 0.7179
Similarity to MM44943
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8358 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419619
Similarity: 0.6698
Similarity to MM419619
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8023 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46574
Similarity: 0.6667
Similarity to MM46574
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
