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DocumentationIdentifier: MM376546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376546 |
| SMILES |
CC(CO)C(C#N)OC=O
|
| InChIKey |
GTNCLGQRENMACK-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179753
Similarity: 0.7059
Similarity to MM179753
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171982
Similarity: 0.6723
Similarity to MM171982
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.804 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387173
Similarity: 0.6364
Similarity to MM387173
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7778 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
