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DocumentationIdentifier: MM246100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246100 |
| SMILES |
C=C(CC(O)C#N)C(F)F
|
| InChIKey |
XFRCNRBPQLAKOX-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142215
Similarity: 0.7984
Similarity to MM142215
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133816
Similarity: 0.7419
Similarity to MM133816
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329270
Similarity: 0.6352
Similarity to MM329270
| Tanimoto metric | 0.6352 |
|---|---|
| Cosine metric | 0.7778 |
| Dice metric | 0.7769 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
