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DocumentationIdentifier: MM82379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82379 |
| SMILES |
C=C(C#N)C(O)C(O)C#N
|
| InChIKey |
VGHDTWPBTULTQW-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 |
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MM47303
Similarity: 0.7972
Similarity to MM47303
| Tanimoto metric | 0.7972 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82378
Similarity: 0.6609
Similarity to MM82378
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.7959 |
| Dice metric | 0.7958 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349986
Similarity: 0.6484
Similarity to MM349986
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7867 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
