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DocumentationIdentifier: MM385787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385787 |
| SMILES |
N#CCC=C(CO)NC=O
|
| InChIKey |
JLZVGOQWZUSGDA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385657
Similarity: 0.7007
Similarity to MM385657
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.824 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159607
Similarity: 0.7
Similarity to MM159607
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274363
Similarity: 0.6906
Similarity to MM274363
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.817 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
