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DocumentationIdentifier: MM246522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246522 |
| SMILES |
C=CC(=O)OC(=C)C(C)O
|
| InChIKey |
OKFLFBBGRXUSPM-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40849
Similarity: 0.7718
Similarity to MM40849
| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142761
Similarity: 0.6779
Similarity to MM142761
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.808 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246373
Similarity: 0.6591
Similarity to MM246373
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7945 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
