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DocumentationIdentifier: MM142266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142266 |
| SMILES |
C=CC(F)CC(=C)OC
|
| InChIKey |
ZTBWWRDQBURGLM-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM104460
Similarity: 0.7604
Similarity to MM104460
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227023
Similarity: 0.7218
Similarity to MM227023
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245682
Similarity: 0.6809
Similarity to MM245682
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8101 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
