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DocumentationIdentifier: MM97854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97854 |
| SMILES |
NC(CO)CCO
|
| InChIKey |
PYBVXNWDSBYQSA-UHFFFAOYSA-N
|
| MW [Da] |
105.14
Automatically obtained from RDkit software. |
| LogP |
-1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75934
Similarity: 0.7838
Similarity to MM75934
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 89.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111478
Similarity: 0.7551
Similarity to MM111478
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82362
Similarity: 0.7297
Similarity to MM82362
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 89.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
