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DocumentationIdentifier: MM395507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395507 |
| SMILES |
C=CC=CC(CN)C(=N)N
|
| InChIKey |
XTEIQRHPBDGCFS-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180150
Similarity: 0.8396
Similarity to MM180150
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163283
Similarity: 0.7925
Similarity to MM163283
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293531
Similarity: 0.7241
Similarity to MM293531
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8415 |
| Dice metric | 0.84 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
