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DocumentationIdentifier: MM392990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392990 |
| SMILES |
CCCCN(CC)C(C)=N
|
| InChIKey |
JDUWUYUKYWGNIP-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
2.11
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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| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7978 |
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| Cosine metric | 0.8932 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM301533
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Similarity to MM301533
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8778 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+621 more
