Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM448079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448079 |
| SMILES |
C=CCC=CC1NC1C=C
|
| InChIKey |
WTLYHRQEJMBFKQ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217138
Similarity: 0.8938
Similarity to MM217138
| Tanimoto metric | 0.8938 |
|---|---|
| Cosine metric | 0.9454 |
| Dice metric | 0.9439 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448026
Similarity: 0.8279
Similarity to MM448026
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9059 |
| Dice metric | 0.9058 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127997
Similarity: 0.7699
Similarity to MM127997
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
