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DocumentationIdentifier: MM108250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108250 |
| SMILES |
C=CCC(C)C(=C)C
|
| InChIKey |
GRCQSGCHLQHSTC-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104333
Similarity: 0.7636
Similarity to MM104333
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.866 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160206
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| Tanimoto metric | 0.7463 |
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| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133688
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Similarity to MM133688
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
