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DocumentationIdentifier: MM94482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94482 |
| SMILES |
CNC(CCCN)COC
|
| InChIKey |
BNTABIUHBZTUFS-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385804
Similarity: 0.7455
Similarity to MM385804
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8542 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198526
Similarity: 0.7396
Similarity to MM198526
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385965
Similarity: 0.7034
Similarity to MM385965
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8259 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
