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DocumentationIdentifier: MM15823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15823 |
| SMILES |
COC=C(C=O)CC(C)=O
|
| InChIKey |
LMMIUIXKLKKVPF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136040
Similarity: 0.7311
Similarity to MM136040
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273790
Similarity: 0.5762
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| Tanimoto metric | 0.5762 |
|---|---|
| Cosine metric | 0.7311 |
| Dice metric | 0.7311 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273887
Similarity: 0.5541
Similarity to MM273887
| Tanimoto metric | 0.5541 |
|---|---|
| Cosine metric | 0.7133 |
| Dice metric | 0.7131 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
