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DocumentationIdentifier: MM166055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166055 |
| SMILES |
C=CCCCC(C)C=C
|
| InChIKey |
LFXNEGVBUADMEB-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144107
Similarity: 0.9091
Similarity to MM144107
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9524 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112762
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| Tanimoto metric | 0.9048 |
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| Cosine metric | 0.9512 |
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| MW: | 112.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404222
Similarity: 0.84
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| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+671 more
