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DocumentationIdentifier: MM330714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330714 |
| SMILES |
C#CC(C#N)OC(=O)CF
|
| InChIKey |
VBASBKLYDRJARP-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150200
Similarity: 0.7424
Similarity to MM150200
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330336
Similarity: 0.6525
Similarity to MM330336
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7897 |
| MW: | 142.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330784
Similarity: 0.6364
Similarity to MM330784
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7787 |
| Dice metric | 0.7778 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
