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DocumentationIdentifier: MM353586
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353586 |
| SMILES |
C=C(C(C)=CC)C(C)C=O
|
| InChIKey |
CBWKOSJPTGAXMW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM390584
Similarity: 0.729
Similarity to MM390584
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8433 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161041
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Similarity to MM161041
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298866
Similarity: 0.6644
Similarity to MM298866
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.7984 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
