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DocumentationIdentifier: MM370498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370498 |
| SMILES |
CC=CCCC=C(C)C=O
|
| InChIKey |
KYFDCWZFQZSEPW-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 |
Similar entries
MM171188
Similarity: 0.9667
Similarity to MM171188
| Tanimoto metric | 0.9667 |
|---|---|
| Cosine metric | 0.9832 |
| Dice metric | 0.9831 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114758
Similarity: 0.8333
Similarity to MM114758
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370500
Similarity: 0.7838
Similarity to MM370500
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8788 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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