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DocumentationIdentifier: MM342267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342267 |
| SMILES |
C=C(C)CCC(=CC)CC
|
| InChIKey |
SCWCMZRZCRHMDQ-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320466
Similarity: 0.9211
Similarity to MM320466
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.959 |
| Dice metric | 0.9589 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415586
Similarity: 0.7949
Similarity to MM415586
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8857 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199872
Similarity: 0.7838
Similarity to MM199872
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
