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DocumentationIdentifier: MM284281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284281 |
| SMILES |
CNCC=CC(F)=CC#N
|
| InChIKey |
OTWLJOLDCPEDIN-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170317
Similarity: 0.7802
Similarity to MM170317
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284279
Similarity: 0.6762
Similarity to MM284279
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.8068 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284203
Similarity: 0.6762
Similarity to MM284203
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.8068 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
