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DocumentationIdentifier: MM312445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312445 |
| SMILES |
O=CNC(CO)(CO)CO
|
| InChIKey |
ZIZWZRGEIHXUGR-UHFFFAOYSA-N
|
| MW [Da] |
149.15
Automatically obtained from RDkit software. |
| LogP |
-2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139294
Similarity: 0.9474
Similarity to MM139294
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28517
Similarity: 0.7632
Similarity to MM28517
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319736
Similarity: 0.699
Similarity to MM319736
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8229 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
