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DocumentationIdentifier: MM375882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375882 |
| SMILES |
CCC(CC#N)C(O)CO
|
| InChIKey |
BBZMLTSXLQRVTR-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375890
Similarity: 0.7522
Similarity to MM375890
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8586 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75596
Similarity: 0.701
Similarity to MM75596
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8242 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58698
Similarity: 0.6807
Similarity to MM58698
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.81 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
