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DocumentationIdentifier: MM288506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288506 |
| SMILES |
CC(=O)NC=COCCO
|
| InChIKey |
XETLLDBZUIBNOB-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288607
Similarity: 0.7957
Similarity to MM288607
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8862 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288608
Similarity: 0.7895
Similarity to MM288608
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8824 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68781
Similarity: 0.7629
Similarity to MM68781
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8655 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
