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DocumentationIdentifier: MM251121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251121 |
| SMILES |
CC(C)(O)C=CC(N)=O
|
| InChIKey |
JOGDKGWBTZOETK-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313593
Similarity: 0.7647
Similarity to MM313593
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58150
Similarity: 0.7583
Similarity to MM58150
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265021
Similarity: 0.7582
Similarity to MM265021
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
