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DocumentationIdentifier: MM255976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255976 |
| SMILES |
C=C(C)C(=O)CC=C(C)C
|
| InChIKey |
LKJZUSHUIDUYLL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304925
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| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8663 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
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| AI: | 0
Total active interactions
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MM304923
Similarity: 0.7431
Similarity to MM304923
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8526 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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