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DocumentationIdentifier: MM330267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330267 |
| SMILES |
N#CC(C#N)NC(=O)CO
|
| InChIKey |
WQOQXDIMCWVZLA-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM64914
Similarity: 0.75
Similarity to MM64914
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8571 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227030
Similarity: 0.7323
Similarity to MM227030
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8455 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM44545
Similarity: 0.7282
Similarity to MM44545
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
