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DocumentationIdentifier: MM240928
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240928 |
| SMILES |
COC(C)(C)C=CCCO
|
| InChIKey |
USRVZOUPNLVWIN-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138761
Similarity: 0.8452
Similarity to MM138761
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228322
Similarity: 0.7717
Similarity to MM228322
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8712 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240927
Similarity: 0.7684
Similarity to MM240927
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.869 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+751 more
