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DocumentationIdentifier: MM252764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252764 |
| SMILES |
CC(C#CC(N)=O)NC=O
|
| InChIKey |
UCPQHWLFRLZJAV-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158421
Similarity: 0.7549
Similarity to MM158421
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252729
Similarity: 0.7119
Similarity to MM252729
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8317 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158394
Similarity: 0.6961
Similarity to MM158394
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
