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DocumentationIdentifier: MM393266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393266 |
| SMILES |
C=CC(CCNC)C(=N)N
|
| InChIKey |
VOWFDIQTCWRABX-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179939
Similarity: 0.8136
Similarity to MM179939
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388687
Similarity: 0.6831
Similarity to MM388687
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8117 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272426
Similarity: 0.6454
Similarity to MM272426
| Tanimoto metric | 0.6454 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.7845 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
