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DocumentationIdentifier: MM261394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261394 |
| SMILES |
CC(CC(N)CN)NC=N
|
| InChIKey |
KKBHYTLQVAWNAO-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.75
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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MM135131
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| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6633 |
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| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155878
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Similarity to MM155878
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.7901 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
