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DocumentationIdentifier: MM158550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158550 |
| SMILES |
C=C(C#CCC)CC=O
|
| InChIKey |
YWGUZMBSRMBXOI-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.55
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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MM282835
Similarity: 0.9221
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| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9103 |
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| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
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MM282885
Similarity: 0.8765
Similarity to MM282885
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+768 more
