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DocumentationIdentifier: MM388137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388137 |
| SMILES |
CC(O)C(C#N)C(O)CO
|
| InChIKey |
BOKYQALKXVLZFS-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196936
Similarity: 0.735
Similarity to MM196936
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180972
Similarity: 0.6581
Similarity to MM180972
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.7938 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388129
Similarity: 0.6312
Similarity to MM388129
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.774 |
| Dice metric | 0.7739 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
