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DocumentationIdentifier: MM153360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153360 |
| SMILES |
CC(=N)NCC=CC=O
|
| InChIKey |
NNHKZPINPSOZEJ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105906
Similarity: 0.7647
Similarity to MM105906
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82653
Similarity: 0.7473
Similarity to MM82653
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288049
Similarity: 0.6667
Similarity to MM288049
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8009 |
| Dice metric | 0.8 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
