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DocumentationIdentifier: MM142715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142715 |
| SMILES |
C=CC(=O)NC(=C)CO
|
| InChIKey |
NQGOGONTJINKHJ-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264456
Similarity: 0.811
Similarity to MM264456
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264457
Similarity: 0.7863
Similarity to MM264457
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8803 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33075
Similarity: 0.7476
Similarity to MM33075
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
