Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM217138
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217138 |
| SMILES |
C=CC1NC1C=CCC
|
| InChIKey |
OUDXAIJWTVDOHF-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM448026
Similarity: 0.9182
Similarity to MM448026
| Tanimoto metric | 0.9182 |
|---|---|
| Cosine metric | 0.9582 |
| Dice metric | 0.9573 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448079
Similarity: 0.8938
Similarity to MM448079
| Tanimoto metric | 0.8938 |
|---|---|
| Cosine metric | 0.9454 |
| Dice metric | 0.9439 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127997
Similarity: 0.8614
Similarity to MM127997
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
