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DocumentationIdentifier: MM138744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138744 |
| SMILES |
CCC(C)(C)C=COC
|
| InChIKey |
WSXVGBYIFTZROP-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241012
Similarity: 0.8714
Similarity to MM241012
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310593
Similarity: 0.8472
Similarity to MM310593
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240931
Similarity: 0.8243
Similarity to MM240931
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+737 more
