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DocumentationIdentifier: MM67416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67416 |
| SMILES |
NCC=COC(CO)CO
|
| InChIKey |
FZYPLDZPEMIHAQ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168108
Similarity: 0.9067
Similarity to MM168108
| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54484
Similarity: 0.8133
Similarity to MM54484
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67418
Similarity: 0.7312
Similarity to MM67418
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8447 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
