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DocumentationIdentifier: MM140028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM140028 |
| SMILES |
C=CC(C)(CN)C(=N)N
|
| InChIKey |
XWFRUQJZRJDOLO-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244186
Similarity: 0.744
Similarity to MM244186
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8532 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117017
Similarity: 0.7204
Similarity to MM117017
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313706
Similarity: 0.6788
Similarity to MM313706
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8087 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
