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DocumentationIdentifier: MM325191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325191 |
| SMILES |
CCC(C)=COC(=O)CO
|
| InChIKey |
RNBMHFFXHKBRPE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.84
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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MM146658
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| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM44284
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| Tanimoto metric | 0.7647 |
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| Cosine metric | 0.8745 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.45 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168583
Similarity: 0.7549
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| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
