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DocumentationIdentifier: MM82601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82601 |
| SMILES |
CCC(N)C(C)CNC=O
|
| InChIKey |
VQDNSRUTJHEXPR-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81668
Similarity: 0.7321
Similarity to MM81668
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8454 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73450
Similarity: 0.717
Similarity to MM73450
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8352 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82602
Similarity: 0.6981
Similarity to MM82602
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8222 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
