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DocumentationIdentifier: MM406431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406431 |
| SMILES |
C=CC=CCC(C=O)CF
|
| InChIKey |
JNDPHJSOKPVZFV-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199500
Similarity: 0.8444
Similarity to MM199500
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406144
Similarity: 0.7755
Similarity to MM406144
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8736 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345868
Similarity: 0.7549
Similarity to MM345868
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8603 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
