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DocumentationIdentifier: MM64914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64914 |
| SMILES |
COCC(=O)NC(C)C#N
|
| InChIKey |
MBXPTUVGICBCKX-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM330267
Similarity: 0.75
Similarity to MM330267
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8571 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45915
Similarity: 0.7368
Similarity to MM45915
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227030
Similarity: 0.6861
Similarity to MM227030
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8139 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
