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DocumentationIdentifier: MM247199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247199 |
| SMILES |
CC=C(C)OC(=O)C(C)C
|
| InChIKey |
KRLRPNMLMROWST-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
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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MM133917
Similarity: 0.7583
Similarity to MM133917
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265924
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Similarity to MM265924
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8452 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM266031
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Similarity to MM266031
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8264 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
