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DocumentationIdentifier: MM168881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168881 |
| SMILES |
C#CC(=N)NC=CCN
|
| InChIKey |
NXXDLIYPUVLOTJ-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
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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MM374310
Similarity: 0.9101
Similarity to MM374310
| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9529 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.8351 |
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| Cosine metric | 0.9138 |
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| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM84453
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|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
