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DocumentationIdentifier: MM245939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245939 |
| SMILES |
C=C(CC(C)CN)C(C)C
|
| InChIKey |
YJEJOWMZAFWCFE-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.18
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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Similarity: 0.8537
Similarity to MM141916
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM86601
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| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8889 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262371
Similarity: 0.7778
Similarity to MM262371
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.875 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
