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DocumentationIdentifier: MM78718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78718 |
| SMILES |
CCC(CCCN)NC=O
|
| InChIKey |
ADGNBDIXBHOIAG-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155881
Similarity: 0.8125
Similarity to MM155881
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90687
Similarity: 0.7558
Similarity to MM90687
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8609 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72481
Similarity: 0.7292
Similarity to MM72481
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8434 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
