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DocumentationIdentifier: MM233891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233891 |
| SMILES |
C=CCC(C)(C)CNCC
|
| InChIKey |
WWVKRLJJYLBDRD-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132371
Similarity: 0.8228
Similarity to MM132371
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155867
Similarity: 0.7848
Similarity to MM155867
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291401
Similarity: 0.747
Similarity to MM291401
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8552 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+586 more
