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DocumentationIdentifier: MM393491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393491 |
| SMILES |
CC(=O)C(C=O)NCC#N
|
| InChIKey |
YMJYZEYTMLNXEN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59632
Similarity: 0.7934
Similarity to MM59632
| Tanimoto metric | 0.7934 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8848 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102337
Similarity: 0.7311
Similarity to MM102337
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8447 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441014
Similarity: 0.6846
Similarity to MM441014
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8128 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+28 more
