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DocumentationIdentifier: MM25688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25688 |
| SMILES |
C=CC(C)(C)CC
|
| InChIKey |
TXBZITDWMURSEF-UHFFFAOYSA-N
|
| MW [Da] |
98.19
Automatically obtained from RDkit software. |
| LogP |
2.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103071
Similarity: 0.75
Similarity to MM103071
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35176
Similarity: 0.75
Similarity to MM35176
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35102
Similarity: 0.75
Similarity to MM35102
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 112.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+734 more
