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DocumentationIdentifier: MM61404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61404 |
| SMILES |
N#CCC(F)(CO)CC#N
|
| InChIKey |
OUUXNZKBOLIXNX-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42172
Similarity: 0.9381
Similarity to MM42172
| Tanimoto metric | 0.9381 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9681 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28511
Similarity: 0.7216
Similarity to MM28511
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61423
Similarity: 0.6866
Similarity to MM61423
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8142 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
