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DocumentationIdentifier: MM425694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425694 |
| SMILES |
CCC1(CNCCN)CN1
|
| InChIKey |
YEXLOMQCEMQNJN-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.71
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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MM202878
Similarity: 0.9143
Similarity to MM202878
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425688
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| Tanimoto metric | 0.8844 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9386 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343640
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Similarity to MM343640
| Tanimoto metric | 0.8258 |
|---|---|
| Cosine metric | 0.9046 |
| Dice metric | 0.9046 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
