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DocumentationIdentifier: MM85781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85781 |
| SMILES |
N#CC=CC(F)C(O)C#N
|
| InChIKey |
PTHSFVQMPBSASK-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163169
Similarity: 0.7795
Similarity to MM163169
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355471
Similarity: 0.7586
Similarity to MM355471
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8627 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85780
Similarity: 0.7237
Similarity to MM85780
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8397 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
