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DocumentationIdentifier: MM327014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327014 |
| SMILES |
N#CC(O)CC(C#N)CF
|
| InChIKey |
GEUVFQKZUROQRF-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44401
Similarity: 0.8165
Similarity to MM44401
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42743
Similarity: 0.7523
Similarity to MM42743
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326618
Similarity: 0.752
Similarity to MM326618
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8584 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
