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DocumentationIdentifier: MM350935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350935 |
| SMILES |
C=C(C(C)CN)C(C)CN
|
| InChIKey |
JPHZGHBZMOPVKF-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.73
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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MM96195
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| Tanimoto metric | 0.9315 |
|---|---|
| Cosine metric | 0.9651 |
| Dice metric | 0.9645 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111684
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| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298270
Similarity: 0.7882
Similarity to MM298270
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
