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DocumentationIdentifier: MM329775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329775 |
| SMILES |
C=CC(=O)OC(C=C)CC
|
| InChIKey |
PKLXYENYTHSQMI-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
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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MM150051
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| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM329439
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| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8681 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142158
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Similarity to MM142158
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
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| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
