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DocumentationIdentifier: MM83210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83210 |
| SMILES |
COCCC(=O)OCC#N
|
| InChIKey |
JSLFMVMMTGLNTD-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156327
Similarity: 0.8837
Similarity to MM156327
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91237
Similarity: 0.8022
Similarity to MM91237
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8902 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441478
Similarity: 0.7767
Similarity to MM441478
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8743 |
| MW: | 143.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
