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DocumentationIdentifier: MM243089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243089 |
| SMILES |
CC(CO)(CC#N)NC=O
|
| InChIKey |
GGQPRQRQTHWUQO-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
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: 0.736
Similarity to MM139290
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51239
Similarity: 0.704
Similarity to MM51239
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312437
Similarity: 0.6434
Similarity to MM312437
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.783 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
