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DocumentationIdentifier: MM454875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454875 |
| SMILES |
CCCC=CC=COCC
|
| InChIKey |
YGGUGPYEUWHPRR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215502
Similarity: 0.8571
Similarity to MM215502
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215499
Similarity: 0.8413
Similarity to MM215499
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456800
Similarity: 0.7465
Similarity to MM456800
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8548 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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