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DocumentationIdentifier: MM420676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420676 |
| SMILES |
O=CC=CCC(C=O)=CF
|
| InChIKey |
FSTLZKCVWMPRDV-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200390
Similarity: 0.8696
Similarity to MM200390
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346344
Similarity: 0.7714
Similarity to MM346344
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.871 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420664
Similarity: 0.7547
Similarity to MM420664
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8602 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
