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DocumentationIdentifier: MM338681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338681 |
| SMILES |
C=C(C=C(C#N)CO)CO
|
| InChIKey |
HNIUXTPEPRUYPG-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
MM338856
Similarity: 0.776
Similarity to MM338856
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8739 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143715
Similarity: 0.7658
Similarity to MM143715
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336284
Similarity: 0.6899
Similarity to MM336284
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8165 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
