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DocumentationIdentifier: MM309861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309861 |
| SMILES |
CC=CC(C)=CC1CN1C
|
| InChIKey |
ZXCOKYAQMLNPQH-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM185079
Similarity: 0.8725
Similarity to MM185079
| Tanimoto metric | 0.8725 |
|---|---|
| Cosine metric | 0.9341 |
| Dice metric | 0.9319 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409497
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Similarity to MM409497
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.9028 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409089
Similarity: 0.7268
Similarity to MM409089
| Tanimoto metric | 0.7268 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8418 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
