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DocumentationIdentifier: MM274717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274717 |
| SMILES |
CC(=O)C=C(C=O)NC=O
|
| InChIKey |
VXHOLVNSUDNPPH-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136503
Similarity: 0.7597
Similarity to MM136503
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM51956
Similarity: 0.7209
Similarity to MM51956
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM76114
Similarity: 0.6564
Similarity to MM76114
| Tanimoto metric | 0.6564 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.7926 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
