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DocumentationIdentifier: MM130038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130038 |
| SMILES |
C=CC(C)CC(C)(C)C
|
| InChIKey |
JTXUVHFRSRTSAT-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: 0.8824
Similarity to MM220637
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224253
Similarity: 0.8491
Similarity to MM224253
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130653
Similarity: 0.8431
Similarity to MM130653
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9157 |
| Dice metric | 0.9149 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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