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DocumentationIdentifier: MM77387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77387 |
| SMILES |
CC(C=O)(C=O)OCC#N
|
| InChIKey |
VZHIJMMDJXZEMK-UHFFFAOYSA-N
|
| MW [Da] |
141.13
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
MM41927
Similarity: 0.8333
Similarity to MM41927
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42361
Similarity: 0.7976
Similarity to MM42361
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229176
Similarity: 0.7444
Similarity to MM229176
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8535 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
