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DocumentationIdentifier: MM75371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75371 |
| SMILES |
N#CC=C(CC#N)NC=O
|
| InChIKey |
XZLRPISMMAYDJC-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
MM51537
Similarity: 0.8348
Similarity to MM51537
| Tanimoto metric | 0.8348 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75370
Similarity: 0.6929
Similarity to MM75370
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8186 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304409
Similarity: 0.6906
Similarity to MM304409
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.817 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
