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DocumentationIdentifier: MM92148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92148 |
| SMILES |
C=CCC(N)CNCC
|
| InChIKey |
VEFBTGPOSBVJKJ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291408
Similarity: 0.9324
Similarity to MM291408
| Tanimoto metric | 0.9324 |
|---|---|
| Cosine metric | 0.9656 |
| Dice metric | 0.965 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250558
Similarity: 0.8625
Similarity to MM250558
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9262 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291528
Similarity: 0.8519
Similarity to MM291528
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
