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DocumentationIdentifier: MM412959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412959 |
| SMILES |
C=CN(C=C)C(=O)C=CN
|
| InChIKey |
QLPZPXKXPYFHBL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50822
Similarity: 0.902
Similarity to MM50822
| Tanimoto metric | 0.902 |
|---|---|
| Cosine metric | 0.9497 |
| Dice metric | 0.9485 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295626
Similarity: 0.7302
Similarity to MM295626
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.844 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35712
Similarity: 0.6961
Similarity to MM35712
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
