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DocumentationIdentifier: MM227046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227046 |
| SMILES |
CC(C)(C#N)OC(=O)CF
|
| InChIKey |
LJGPFYXXYCGGSK-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM330336
Similarity: 0.7339
Similarity to MM330336
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8465 |
| MW: | 142.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130178
Similarity: 0.6667
Similarity to MM130178
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58366
Similarity: 0.6462
Similarity to MM58366
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7867 |
| Dice metric | 0.785 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
