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DocumentationIdentifier: MM312351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312351 |
| SMILES |
CNCC(CO)(CO)CO
|
| InChIKey |
JIFQJVQBOHQWHV-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139211
Similarity: 0.9531
Similarity to MM139211
| Tanimoto metric | 0.9531 |
|---|---|
| Cosine metric | 0.9763 |
| Dice metric | 0.976 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228994
Similarity: 0.7821
Similarity to MM228994
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8777 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102960
Similarity: 0.7656
Similarity to MM102960
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
