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DocumentationIdentifier: MM263537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263537 |
| SMILES |
C#CCC(=O)NC(=C)CN
|
| InChIKey |
JCKLEIYQXUMGQX-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263132
Similarity: 0.7034
Similarity to MM263132
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8259 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263536
Similarity: 0.6757
Similarity to MM263536
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8065 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37905
Similarity: 0.6733
Similarity to MM37905
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8048 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
