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DocumentationIdentifier: MM448909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448909 |
| SMILES |
C=CC=COCCNC=N
|
| InChIKey |
KCQSCKBEUKCHLG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213708
Similarity: 0.8056
Similarity to MM213708
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448701
Similarity: 0.775
Similarity to MM448701
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8732 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448699
Similarity: 0.747
Similarity to MM448699
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8552 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
