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DocumentationIdentifier: MM130653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130653 |
| SMILES |
C=CC(C)(C)CC(C)C
|
| InChIKey |
JWKWSKMAPDHZIR-UHFFFAOYSA-N
|
| MW [Da] |
126.24
Automatically obtained from RDkit software. |
| LogP |
3.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220637
Similarity: 0.9608
Similarity to MM220637
| Tanimoto metric | 0.9608 |
|---|---|
| Cosine metric | 0.9802 |
| Dice metric | 0.98 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226411
Similarity: 0.8909
Similarity to MM226411
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103040
Similarity: 0.8571
Similarity to MM103040
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 112.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+670 more
