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DocumentationIdentifier: MM312415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312415 |
| SMILES |
C=CCC(CC)(CN)CN
|
| InChIKey |
CDQWIFGPKYDVGN-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139265
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| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM243074
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| Tanimoto metric | 0.8025 |
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| Cosine metric | 0.8918 |
| Dice metric | 0.8904 |
| MW: | 139.24 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM77939
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Similarity to MM77939
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
