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DocumentationIdentifier: MM94200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94200 |
| SMILES |
CC(C=O)C(C#N)CC#N
|
| InChIKey |
WTIZTQVKRBGGKN-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388191
Similarity: 0.75
Similarity to MM388191
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8571 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178037
Similarity: 0.7273
Similarity to MM178037
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348576
Similarity: 0.72
Similarity to MM348576
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8372 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+189 more
