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DocumentationIdentifier: MM294248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294248 |
| SMILES |
NCCC(O)C(N)C=CF
|
| InChIKey |
ALFRLFJDYLAHBY-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56406
Similarity: 0.8306
Similarity to MM56406
| Tanimoto metric | 0.8306 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9075 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172075
Similarity: 0.75
Similarity to MM172075
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55974
Similarity: 0.7357
Similarity to MM55974
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8477 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
