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DocumentationIdentifier: MM133737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133737 |
| SMILES |
CC(=O)C(C)N=C(C)N
|
| InChIKey |
QQKDTRAFKOZJNG-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275341
Similarity: 0.8284
Similarity to MM275341
| Tanimoto metric | 0.8284 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85313
Similarity: 0.75
Similarity to MM85313
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8571 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268876
Similarity: 0.74
Similarity to MM268876
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
