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DocumentationIdentifier: MM194851
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194851 |
| SMILES |
CC=CC1CN1CCN
|
| InChIKey |
FEAMNLCMMMLVGB-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127972
Similarity: 0.7874
Similarity to MM127972
| Tanimoto metric | 0.7874 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127792
Similarity: 0.7638
Similarity to MM127792
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM217069
Similarity: 0.7286
Similarity to MM217069
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.843 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
