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DocumentationIdentifier: MM389147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389147 |
| SMILES |
C=CC(C=CC)NC=NC
|
| InChIKey |
VFLIZLQVSPAENM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157385
Similarity: 0.8488
Similarity to MM157385
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378129
Similarity: 0.71
Similarity to MM378129
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.8304 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107553
Similarity: 0.6744
Similarity to MM107553
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8056 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
