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DocumentationIdentifier: MM383334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383334 |
| SMILES |
CCC=C(C#N)OC=CF
|
| InChIKey |
ZPCVXXCHCAOUGN-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200423
Similarity: 0.7838
Similarity to MM200423
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386358
Similarity: 0.7087
Similarity to MM386358
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8295 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346435
Similarity: 0.6905
Similarity to MM346435
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8169 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
