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DocumentationIdentifier: MM75708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75708 |
| SMILES |
C#CCC(OC=C)C(N)=O
|
| InChIKey |
ZILVZPZCOHLLIK-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
MM52271
Similarity: 0.7891
Similarity to MM52271
| Tanimoto metric | 0.7891 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305336
Similarity: 0.6608
Similarity to MM305336
| Tanimoto metric | 0.6608 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7958 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305338
Similarity: 0.6333
Similarity to MM305338
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7755 |
| Dice metric | 0.7755 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
