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DocumentationIdentifier: MM385874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385874 |
| SMILES |
CCCC(CO)NCCO
|
| InChIKey |
AOVCGFPBATVVQH-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385872
Similarity: 0.8804
Similarity to MM385872
| Tanimoto metric | 0.8804 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9364 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402209
Similarity: 0.766
Similarity to MM402209
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8675 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198572
Similarity: 0.764
Similarity to MM198572
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+608 more
