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DocumentationIdentifier: MM243460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243460 |
| SMILES |
CC#CC(F)(C=O)CC#N
|
| InChIKey |
UJLORIGOXMSNQB-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42422
Similarity: 0.7619
Similarity to MM42422
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311864
Similarity: 0.6467
Similarity to MM311864
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7855 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243450
Similarity: 0.5978
Similarity to MM243450
| Tanimoto metric | 0.5978 |
|---|---|
| Cosine metric | 0.7483 |
| Dice metric | 0.7483 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
