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DocumentationIdentifier: MM439428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439428 |
| SMILES |
CCC(C#N)CC1CN1C
|
| InChIKey |
XLKWRGBFKVAAHA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM184664
Similarity: 0.7922
Similarity to MM184664
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440515
Similarity: 0.7593
Similarity to MM440515
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8632 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM277488
Similarity: 0.6932
Similarity to MM277488
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8188 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
