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DocumentationIdentifier: MM394482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394482 |
| SMILES |
CC(C)C(=CF)COC=O
|
| InChIKey |
CIZNZZXGIIOQST-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162498
Similarity: 0.6964
Similarity to MM162498
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397398
Similarity: 0.6642
Similarity to MM397398
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7982 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376643
Similarity: 0.6449
Similarity to MM376643
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7841 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
