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DocumentationIdentifier: MM254483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254483 |
| SMILES |
CC(O)CCC(O)C(C)N
|
| InChIKey |
HIEHDHXOPHPBKE-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161939
Similarity: 0.7895
Similarity to MM161939
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315261
Similarity: 0.7835
Similarity to MM315261
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8786 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300885
Similarity: 0.7476
Similarity to MM300885
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8556 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
