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DocumentationIdentifier: MM238174
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238174 |
| SMILES |
N#CCNC(=O)C=C(F)F
|
| InChIKey |
VFMYYTMTWOWWCU-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46454
Similarity: 0.84
Similarity to MM46454
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238172
Similarity: 0.7364
Similarity to MM238172
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8482 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238173
Similarity: 0.7043
Similarity to MM238173
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8265 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
