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DocumentationIdentifier: MM55974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55974 |
| SMILES |
C=CCC(O)C(N)C=CF
|
| InChIKey |
HBWNZRQKJWYRIB-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.73
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: 0.8655
Similarity to MM56406
| Tanimoto metric | 0.8655 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9279 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352842
Similarity: 0.8629
Similarity to MM352842
| Tanimoto metric | 0.8629 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9264 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59444
Similarity: 0.7395
Similarity to MM59444
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
