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DocumentationIdentifier: MM319565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319565 |
| SMILES |
C=CC(=O)CNC(=O)CO
|
| InChIKey |
SFJQRPYEJQVZGL-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43910
Similarity: 0.7632
Similarity to MM43910
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144946
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| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM318770
Similarity: 0.6692
Similarity to MM318770
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.8018 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
