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DocumentationIdentifier: MM169220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169220 |
| SMILES |
CCC#CCC(=O)CC
|
| InChIKey |
PYYLFGXXQIFHJM-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375989
Similarity: 0.9655
Similarity to MM375989
| Tanimoto metric | 0.9655 |
|---|---|
| Cosine metric | 0.9826 |
| Dice metric | 0.9825 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376076
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| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113795
Similarity: 0.8929
Similarity to MM113795
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+524 more
