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DocumentationIdentifier: MM82661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82661 |
| SMILES |
C=C(C(O)C#N)C(O)C#N
|
| InChIKey |
UVXFJJPQRGCGIQ-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50369
Similarity: 0.8396
Similarity to MM50369
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82631
Similarity: 0.7338
Similarity to MM82631
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8465 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111900
Similarity: 0.7075
Similarity to MM111900
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8287 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
