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DocumentationIdentifier: MM339159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339159 |
| SMILES |
CNC(=O)C=C(C=O)C=O
|
| InChIKey |
QFCDNNVFADNQRP-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.94
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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MM247657
Similarity: 0.7544
Similarity to MM247657
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.86 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289533
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338752
Similarity: 0.6667
Similarity to MM338752
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
