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DocumentationIdentifier: MM90687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90687 |
| SMILES |
CNCCCC(C)NC=O
|
| InChIKey |
USNQEAXBBGZHDG-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
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: 0.9155
Similarity to MM155881
| Tanimoto metric | 0.9155 |
|---|---|
| Cosine metric | 0.9568 |
| Dice metric | 0.9559 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92264
Similarity: 0.9028
Similarity to MM92264
| Tanimoto metric | 0.9028 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9489 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78718
Similarity: 0.7558
Similarity to MM78718
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8609 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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