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DocumentationIdentifier: MM28686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28686 |
| SMILES |
C=C(C)C(C)(C)CC
|
| InChIKey |
TUSBCMPNIOJUBX-UHFFFAOYSA-N
|
| MW [Da] |
112.22
Automatically obtained from RDkit software. |
| LogP |
3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313636
Similarity: 0.8448
Similarity to MM313636
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139967
Similarity: 0.8448
Similarity to MM139967
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132949
Similarity: 0.7538
Similarity to MM132949
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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