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DocumentationIdentifier: MM390438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390438 |
| SMILES |
C=CCC(CO)C(C)C=C
|
| InChIKey |
UTRIJQWJDPDFMU-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.99
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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MM381187
Similarity: 0.8158
Similarity to MM381187
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367308
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| Tanimoto metric | 0.7683 |
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| Cosine metric | 0.87 |
| Dice metric | 0.869 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368386
Similarity: 0.6923
Similarity to MM368386
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8182 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
