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DocumentationIdentifier: MM224898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224898 |
| SMILES |
C=C(CN)COC(C)(C)C
|
| InChIKey |
LBNRKAQBOCJFEE-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144621
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Similarity to MM144621
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8531 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM70750
Similarity: 0.7073
Similarity to MM70750
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
