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DocumentationIdentifier: MM113707
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113707 |
| SMILES |
C=C(C=O)CC=CF
|
| InChIKey |
CZRKSMHLOCKKFK-UHFFFAOYSA-N
|
| MW [Da] |
114.12
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200392
Similarity: 0.7703
Similarity to MM200392
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200386
Similarity: 0.7125
Similarity to MM200386
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26526
Similarity: 0.7018
Similarity to MM26526
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8247 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
