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DocumentationIdentifier: MM37975
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37975 |
| SMILES |
CC=C(CO)NC=O
|
| InChIKey |
DMVRUBBFBHZNIB-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51777
Similarity: 0.8022
Similarity to MM51777
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178958
Similarity: 0.7684
Similarity to MM178958
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178543
Similarity: 0.7604
Similarity to MM178543
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
