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DocumentationIdentifier: MM89054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89054 |
| SMILES |
CCC=CN(C=O)CC#N
|
| InChIKey |
LQJZLKKRZSATDD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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
MM51404
Similarity: 0.8119
Similarity to MM51404
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200655
Similarity: 0.7624
Similarity to MM200655
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8652 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424866
Similarity: 0.7345
Similarity to MM424866
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8469 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
