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DocumentationIdentifier: MM89521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89521 |
| SMILES |
N#CC#CC(C#N)NC=O
|
| InChIKey |
WQPUCCFCCCCZJK-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178395
Similarity: 0.8411
Similarity to MM178395
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89509
Similarity: 0.7438
Similarity to MM89509
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46919
Similarity: 0.729
Similarity to MM46919
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
