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DocumentationIdentifier: MM342950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342950 |
| SMILES |
C=CC(O)C(=C)CC(C)C
|
| InChIKey |
NIMSHQAQDFHFSE-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.14
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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MM350396
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Similarity to MM350396
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360526
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350636
Similarity: 0.7119
Similarity to MM350636
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8317 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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