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DocumentationIdentifier: MM172854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172854 |
| SMILES |
C#CC(=C)C(N)CC=C
|
| InChIKey |
YDXBAGUTZDWZCM-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295332
Similarity: 0.7983
Similarity to MM295332
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111877
Similarity: 0.7789
Similarity to MM111877
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378000
Similarity: 0.7037
Similarity to MM378000
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
