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DocumentationIdentifier: MM355849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355849 |
| SMILES |
COCCC(=N)NCC#N
|
| InChIKey |
LVFKUQXUUOCPPD-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156283
Similarity: 0.83
Similarity to MM156283
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291773
Similarity: 0.7364
Similarity to MM291773
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8482 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355712
Similarity: 0.7273
Similarity to MM355712
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8421 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
