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DocumentationIdentifier: MM319736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319736 |
| SMILES |
CN(C=O)C(C)(CO)CO
|
| InChIKey |
VQZOFIMKHVAWJA-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.18
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: 0.7273
Similarity to MM139294
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53211
Similarity: 0.7273
Similarity to MM53211
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312445
Similarity: 0.699
Similarity to MM312445
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8229 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
