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DocumentationIdentifier: MM406855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406855 |
| SMILES |
C=COC(C)C(C#N)CO
|
| InChIKey |
GCVTYKNQIDLACC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196958
Similarity: 0.775
Similarity to MM196958
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94130
Similarity: 0.7121
Similarity to MM94130
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8319 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407242
Similarity: 0.6667
Similarity to MM407242
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.8 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
