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DocumentationIdentifier: MM339937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339937 |
| SMILES |
CC=C(CCO)C(C)C=O
|
| InChIKey |
BBEMNNPXXRNYAP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197797
Similarity: 0.7414
Similarity to MM197797
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381280
Similarity: 0.6214
Similarity to MM381280
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7667 |
| Dice metric | 0.7665 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339902
Similarity: 0.5954
Similarity to MM339902
| Tanimoto metric | 0.5954 |
|---|---|
| Cosine metric | 0.751 |
| Dice metric | 0.7464 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
