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DocumentationIdentifier: MM375408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375408 |
| SMILES |
CCOCC(=O)C1CN1
|
| InChIKey |
IUPTZBHHQNSHFF-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363087
Similarity: 0.844
Similarity to MM363087
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460537
Similarity: 0.6383
Similarity to MM460537
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7989 |
| Dice metric | 0.7792 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450529
Similarity: 0.5941
Similarity to MM450529
| Tanimoto metric | 0.5941 |
|---|---|
| Cosine metric | 0.7512 |
| Dice metric | 0.7453 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
