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DocumentationIdentifier: MM157338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157338 |
| SMILES |
C=C(C=CF)OCC#N
|
| InChIKey |
XXJHOOMQCKGCMZ-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107628
Similarity: 0.7531
Similarity to MM107628
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113394
Similarity: 0.7284
Similarity to MM113394
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200188
Similarity: 0.6569
Similarity to MM200188
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7929 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
