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DocumentationIdentifier: MM266767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266767 |
| SMILES |
CCCC(=O)C=C(C)C=O
|
| InChIKey |
XHVFQHJMHIQPJK-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143727
Similarity: 0.8085
Similarity to MM143727
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM136207
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| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM338697
Similarity: 0.7387
Similarity to MM338697
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8497 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
