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DocumentationIdentifier: MM350483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350483 |
| SMILES |
C=CC(=C)C(C)C(=O)CC
|
| InChIKey |
VUQQVFMRCKFZEP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
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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MM160671
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| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.18 |
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Total active interactions
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MM254040
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Similarity to MM254040
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.808 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+137 more
