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DocumentationIdentifier: MM246779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246779 |
| SMILES |
C=C(CC)CC(=C)C(C)=O
|
| InChIKey |
MURCTHPNFNWIKE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM134010
Similarity: 0.899
Similarity to MM134010
| Tanimoto metric | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9468 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269662
Similarity: 0.8087
Similarity to MM269662
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8942 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246945
Similarity: 0.7295
Similarity to MM246945
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8436 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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