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DocumentationIdentifier: MM370687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370687 |
| SMILES |
CCC#CCCC(=O)CC
|
| InChIKey |
GJRYSUVUUJINOH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.16
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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MM167690
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Similarity to MM167690
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM278989
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| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.938 |
| Dice metric | 0.9375 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153457
Similarity: 0.8387
Similarity to MM153457
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
