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DocumentationIdentifier: MM227030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227030 |
| SMILES |
CC(C)(C#N)NC(=O)CO
|
| InChIKey |
AXKLFKXPEZDLOK-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40109
Similarity: 0.7436
Similarity to MM40109
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330267
Similarity: 0.7323
Similarity to MM330267
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8455 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64914
Similarity: 0.6861
Similarity to MM64914
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8139 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
