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DocumentationIdentifier: MM428438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM428438 |
| SMILES |
CC=C(C=CCOC)CN
|
| InChIKey |
JQQZHTLLOMVMLQ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200895
Similarity: 0.8316
Similarity to MM200895
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387236
Similarity: 0.7321
Similarity to MM387236
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8454 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM397692
Similarity: 0.7207
Similarity to MM397692
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8377 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
