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DocumentationIdentifier: MM376773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376773 |
| SMILES |
C=CC(CC=O)C(C)C=O
|
| InChIKey |
HAUFESYDAWXMKQ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM388183
Similarity: 0.881
Similarity to MM388183
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9367 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179728
Similarity: 0.8205
Similarity to MM179728
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400751
Similarity: 0.7865
Similarity to MM400751
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8805 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
