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DocumentationIdentifier: MM370775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370775 |
| SMILES |
C=CC=CCC=C(C)CC
|
| InChIKey |
UQKIWYSRQDFSGZ-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370666
Similarity: 0.8654
Similarity to MM370666
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171293
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| Tanimoto metric | 0.8654 |
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| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114703
Similarity: 0.75
Similarity to MM114703
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+834 more
