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DocumentationIdentifier: MM242528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242528 |
| SMILES |
CC(C=CF)C(C)(F)C#N
|
| InChIKey |
OUZUPIBDPHLKMC-UHFFFAOYSA-N
|
| MW [Da] |
145.15
Automatically obtained from RDkit software. |
| LogP |
2.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174035
Similarity: 0.7266
Similarity to MM174035
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8416 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138632
Similarity: 0.7109
Similarity to MM138632
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310012
Similarity: 0.5948
Similarity to MM310012
| Tanimoto metric | 0.5948 |
|---|---|
| Cosine metric | 0.7468 |
| Dice metric | 0.7459 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
