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DocumentationIdentifier: MM87831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87831 |
| SMILES |
C=COCC(C#N)NC=O
|
| InChIKey |
RDYUJTWWBCBZOH-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51281
Similarity: 0.8125
Similarity to MM51281
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87770
Similarity: 0.7054
Similarity to MM87770
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8273 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387331
Similarity: 0.6894
Similarity to MM387331
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.8161 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
