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DocumentationIdentifier: MM156900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156900 |
| SMILES |
CC=COC(=O)CCO
|
| InChIKey |
IBBFTSMIQRATJG-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.45
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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MM280136
Similarity: 0.8791
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| Tanimoto metric | 0.8791 |
|---|---|
| Cosine metric | 0.9376 |
| Dice metric | 0.9357 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280248
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| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253265
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Similarity to MM253265
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
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| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
