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DocumentationIdentifier: MM213562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213562 |
| SMILES |
CCNCCC=CCN
|
| InChIKey |
QSZLBXJRTMTAKH-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
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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MM448124
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| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM451105
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| Tanimoto metric | 0.9231 |
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| Dice metric | 0.96 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.76 |
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Total active interactions
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MM448625
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Similarity to MM448625
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+752 more
