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DocumentationIdentifier: MM70347
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70347 |
| SMILES |
N#CC=CNC(=O)CC#N
|
| InChIKey |
LVHMHORAMSIJEI-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46290
Similarity: 0.8969
Similarity to MM46290
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280325
Similarity: 0.8131
Similarity to MM280325
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8969 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280433
Similarity: 0.7909
Similarity to MM280433
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
