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DocumentationIdentifier: MM81335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81335 |
| SMILES |
C=C(C#N)C=C(CO)CO
|
| InChIKey |
MVCCSIAWFSRCFE-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143793
Similarity: 0.8936
Similarity to MM143793
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336449
Similarity: 0.7241
Similarity to MM336449
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8415 |
| Dice metric | 0.84 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150959
Similarity: 0.7234
Similarity to MM150959
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
