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DocumentationIdentifier: MM178040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178040 |
| SMILES |
N#CC(CC=O)NC=O
|
| InChIKey |
UIJVMQLCFRPXRZ-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37586
Similarity: 0.7303
Similarity to MM37586
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376868
Similarity: 0.7236
Similarity to MM376868
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376815
Similarity: 0.7008
Similarity to MM376815
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
