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DocumentationIdentifier: MM262920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262920 |
| SMILES |
C#CCC(=O)CC(C)C=O
|
| InChIKey |
OTMSGHNBNVYGCD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293649
Similarity: 0.7358
Similarity to MM293649
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8478 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135464
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| Tanimoto metric | 0.7273 |
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| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142206
Similarity: 0.7273
Similarity to MM142206
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
