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DocumentationIdentifier: MM312437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312437 |
| SMILES |
CCC(CO)(CO)NC=O
|
| InChIKey |
NOPDLWYZWFKQBO-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139290
Similarity: 0.8364
Similarity to MM139290
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139294
Similarity: 0.6545
Similarity to MM139294
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.7912 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61409
Similarity: 0.6434
Similarity to MM61409
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.783 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
