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DocumentationIdentifier: MM364600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364600 |
| SMILES |
CNCCNCC(=N)NC
|
| InChIKey |
MQUWKHZCWKPYAI-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-1.01
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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MM166387
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| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.88 |
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Total active interactions
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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
