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DocumentationIdentifier: MM368045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368045 |
| SMILES |
CC(CO)NCC=CC=O
|
| InChIKey |
MXRVCEFCTFXIHT-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM167223
Similarity: 0.8243
Similarity to MM167223
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367792
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Similarity to MM367792
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8652 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM42474
Similarity: 0.7439
Similarity to MM42474
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8531 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
