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DocumentationIdentifier: MM231299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231299 |
| SMILES |
C=COCC(C)C(C)(C)O
|
| InChIKey |
ZBLPUBAJQUSJKX-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162058
Similarity: 0.7835
Similarity to MM162058
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132010
Similarity: 0.7835
Similarity to MM132010
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392405
Similarity: 0.7308
Similarity to MM392405
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8444 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
