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DocumentationIdentifier: MM80136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80136 |
| SMILES |
N#CC(C#N)OC(=O)CO
|
| InChIKey |
OQAAXCFOAGBZHJ-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42977
Similarity: 0.8958
Similarity to MM42977
| Tanimoto metric | 0.8958 |
|---|---|
| Cosine metric | 0.9465 |
| Dice metric | 0.9451 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64917
Similarity: 0.7748
Similarity to MM64917
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8731 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Dicyanomethyl Acetate
Similarity: 0.7604
Similarity to Dicyanomethyl Acetate
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
