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DocumentationIdentifier: MM61505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61505 |
| SMILES |
N#CCC(F)(C=O)CC#N
|
| InChIKey |
UZXITCBQUSNQEZ-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28572
Similarity: 0.7292
Similarity to MM28572
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132739
Similarity: 0.7059
Similarity to MM132739
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8276 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42378
Similarity: 0.6364
Similarity to MM42378
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7795 |
| Dice metric | 0.7778 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
