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DocumentationIdentifier: MM263670
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263670 |
| SMILES |
C=CCC(=O)CC(=C)C=C
|
| InChIKey |
ZJIQMBPZKZMJGV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142685
Similarity: 0.908
Similarity to MM142685
| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263570
Similarity: 0.8495
Similarity to MM263570
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9186 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135586
Similarity: 0.7701
Similarity to MM135586
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
