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DocumentationIdentifier: MM378708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378708 |
| SMILES |
C=C(C#N)C(C#N)OC=O
|
| InChIKey |
RDZYDJJFCMKZSZ-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172791
Similarity: 0.7606
Similarity to MM172791
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.864 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378846
Similarity: 0.6257
Similarity to MM378846
| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.77 |
| Dice metric | 0.7698 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378312
Similarity: 0.6215
Similarity to MM378312
| Tanimoto metric | 0.6215 |
|---|---|
| Cosine metric | 0.7666 |
| Dice metric | 0.7666 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
