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DocumentationIdentifier: MM290456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290456 |
| SMILES |
C=CCNC=NC=C(C)C
|
| InChIKey |
LVHAMOMWCZSZGH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215354
Similarity: 0.8507
Similarity to MM215354
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452771
Similarity: 0.7662
Similarity to MM452771
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8676 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290437
Similarity: 0.716
Similarity to MM290437
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8345 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
