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DocumentationIdentifier: MM94522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94522 |
| SMILES |
C#CC(C=C)NC(C)=N
|
| InChIKey |
GNBVZGDUOVGZCF-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM330736
Similarity: 0.822
Similarity to MM330736
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272859
Similarity: 0.7951
Similarity to MM272859
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272916
Similarity: 0.776
Similarity to MM272916
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
