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DocumentationIdentifier: MM126907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126907 |
| SMILES |
CC(CCC(C)(C)C)=NO
|
| InChIKey |
TVGHASBRCUTYIC-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
2.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126262
Similarity: 0.8611
Similarity to MM126262
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341761
Similarity: 0.7294
Similarity to MM341761
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8435 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127104
Similarity: 0.7045
Similarity to MM127104
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8267 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
