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DocumentationIdentifier: MM378923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378923 |
| SMILES |
C#CC(NC=O)C(=C)CN
|
| InChIKey |
BCXKGAWKQFBFFS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52323
Similarity: 0.7603
Similarity to MM52323
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8638 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172554
Similarity: 0.6712
Similarity to MM172554
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8033 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379016
Similarity: 0.6271
Similarity to MM379016
| Tanimoto metric | 0.6271 |
|---|---|
| Cosine metric | 0.7709 |
| Dice metric | 0.7708 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
