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DocumentationIdentifier: MM376490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376490 |
| SMILES |
CCOC(C#N)C(O)CO
|
| InChIKey |
QSRICKLIIJFZJE-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196968
Similarity: 0.7656
Similarity to MM196968
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52175
Similarity: 0.7344
Similarity to MM52175
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392588
Similarity: 0.7
Similarity to MM392588
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8235 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
