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DocumentationIdentifier: MM200527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200527 |
| SMILES |
COC(C=CCN)CN
|
| InChIKey |
HIBQZSPCKBNBQR-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
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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MM81028
Similarity: 0.7714
Similarity to MM81028
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72125
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| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113979
Similarity: 0.6914
Similarity to MM113979
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8175 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
