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DocumentationIdentifier: MM125643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125643 |
| SMILES |
C=COCOCCC
|
| InChIKey |
GHGLTMYUWRIKAD-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.53
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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MM55972
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Similarity to MM55972
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447091
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| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM213144
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Similarity to MM213144
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+614 more
