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DocumentationIdentifier: MM355374
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355374 |
| SMILES |
CCN(C)C(C)C=CC=O
|
| InChIKey |
GULCHNUTFNIPJZ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.08
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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MM163179
Similarity: 0.7789
Similarity to MM163179
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174009
Similarity: 0.7684
Similarity to MM174009
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294380
Similarity: 0.6887
Similarity to MM294380
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.8156 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
