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DocumentationIdentifier: MM200254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200254 |
| SMILES |
C#CC(=NC)NCC=C
|
| InChIKey |
VUWCFEACYWKWBX-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417415
Similarity: 0.8641
Similarity to MM417415
| Tanimoto metric | 0.8641 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9271 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332939
Similarity: 0.7295
Similarity to MM332939
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343268
Similarity: 0.7177
Similarity to MM343268
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
