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DocumentationIdentifier: MM15726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15726 |
| SMILES |
CC(=O)OC(C=O)CC#N
|
| InChIKey |
XANYPFHDCPCVAN-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: 0.75
Similarity to MM51309
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150052
Similarity: 0.7417
Similarity to MM150052
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275136
Similarity: 0.6364
Similarity to MM275136
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.778 |
| Dice metric | 0.7778 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
