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DocumentationIdentifier: MM61423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61423 |
| SMILES |
C#CCC(F)(CO)CC#N
|
| InChIKey |
OIXGBLNHRXNNNE-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.62
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: 0.7054
Similarity to MM42172
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61404
Similarity: 0.6866
Similarity to MM61404
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8142 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58771
Similarity: 0.6628
Similarity to MM58771
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8011 |
| Dice metric | 0.7972 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
