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DocumentationIdentifier: MM406770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406770 |
| SMILES |
C#CC(CO)NC=NCC
|
| InChIKey |
YFTYEZHUKFWVPZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199587
Similarity: 0.8763
Similarity to MM199587
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116142
Similarity: 0.701
Similarity to MM116142
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168413
Similarity: 0.6804
Similarity to MM168413
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8098 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
