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DocumentationIdentifier: MM197027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197027 |
| SMILES |
C#CC(C)N(C=N)CC
|
| InChIKey |
JQDFXWLHQSHIQS-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.94
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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MM179767
Similarity: 0.7753
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| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8734 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7522 |
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| Cosine metric | 0.8673 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM85965
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| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
