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DocumentationIdentifier: MM164134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM164134 |
| SMILES |
CC=CCC(C)=C(C)C
|
| InChIKey |
OYXAEKLBJHKNTQ-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM296068
Similarity: 0.871
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8571 |
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| Cosine metric | 0.9258 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108969
Similarity: 0.8148
Similarity to MM108969
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
