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DocumentationIdentifier: MM264445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264445 |
| SMILES |
C=C(C=CF)NC(=N)CN
|
| InChIKey |
JSTALWXWHLQHLI-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135864
Similarity: 0.7656
Similarity to MM135864
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263616
Similarity: 0.6757
Similarity to MM263616
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8065 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71722
Similarity: 0.6061
Similarity to MM71722
| Tanimoto metric | 0.6061 |
|---|---|
| Cosine metric | 0.7552 |
| Dice metric | 0.7547 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
