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DocumentationIdentifier: MM173244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173244 |
| SMILES |
N#CC(O)C(=O)CCO
|
| InChIKey |
CZEZTVQRMWXEPB-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350791
Similarity: 0.8034
Similarity to MM350791
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66356
Similarity: 0.7705
Similarity to MM66356
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35602
Similarity: 0.766
Similarity to MM35602
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
