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DocumentationIdentifier: MM349423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349423 |
| SMILES |
CCC(=O)C(C)OCC#N
|
| InChIKey |
GNWCCZHHCBVVAE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47899
Similarity: 0.7652
Similarity to MM47899
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348994
Similarity: 0.7419
Similarity to MM348994
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.8519 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349421
Similarity: 0.7188
Similarity to MM349421
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8364 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
