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DocumentationIdentifier: MM73358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73358 |
| SMILES |
C=CC(C=CCN)N(C)C
|
| InChIKey |
CQGKSKBQDYQZHH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.62
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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MM163147
Similarity: 0.8025
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| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305740
Similarity: 0.7471
Similarity to MM305740
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8553 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76628
Similarity: 0.7191
Similarity to MM76628
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8366 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
