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DocumentationIdentifier: MM83589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83589 |
| SMILES |
COCCC(C)NCCN
|
| InChIKey |
QYOADUQRAUDEAR-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.04
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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MM155688
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM76648
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| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8537 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291181
Similarity: 0.7368
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8485 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
