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DocumentationIdentifier: MM33357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33357 |
| SMILES |
COCCCC(C)=O
|
| InChIKey |
FXTIMAJUMAQUOG-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1
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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MM152634
Similarity: 0.8333
Similarity to MM152634
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166340
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Similarity to MM166340
| Tanimoto metric | 0.8197 |
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| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152760
Similarity: 0.7692
Similarity to MM152760
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
