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DocumentationIdentifier: MM310896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM310896 |
| SMILES |
COC=CC(C)(C#N)CF
|
| InChIKey |
BVMCEJZLCYOKAS-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200631
Similarity: 0.79
Similarity to MM200631
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424616
Similarity: 0.7117
Similarity to MM424616
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8316 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423982
Similarity: 0.687
Similarity to MM423982
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.8144 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
