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DocumentationIdentifier: MM173691
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173691 |
| SMILES |
C=CCC(=C)C(=C)OC
|
| InChIKey |
MVFWGOFKGQQFNI-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.28
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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MM294137
Similarity: 0.8017
Similarity to MM294137
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8899 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112110
Similarity: 0.7835
Similarity to MM112110
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173615
Similarity: 0.693
Similarity to MM173615
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8187 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
