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DocumentationIdentifier: MM350011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350011 |
| SMILES |
C=C(CCCC)C(C)CC
|
| InChIKey |
GJOIAKZMPIGQBO-UHFFFAOYSA-N
|
| MW [Da] |
140.27
Automatically obtained from RDkit software. |
| LogP |
3.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172308
Similarity: 0.8824
Similarity to MM172308
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.938 |
| Dice metric | 0.9375 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172874
Similarity: 0.8788
Similarity to MM172874
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348777
Similarity: 0.8649
Similarity to MM348777
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.9284 |
| Dice metric | 0.9275 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
