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DocumentationIdentifier: MM305464
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305464 |
| SMILES |
CC(=O)C(CC#N)OC=O
|
| InChIKey |
FEQLEJIQQPTMET-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51309
Similarity: 0.7087
Similarity to MM51309
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305330
Similarity: 0.6144
Similarity to MM305330
| Tanimoto metric | 0.6144 |
|---|---|
| Cosine metric | 0.7614 |
| Dice metric | 0.7611 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15726
Similarity: 0.5935
Similarity to MM15726
| Tanimoto metric | 0.5935 |
|---|---|
| Cosine metric | 0.7452 |
| Dice metric | 0.7449 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
