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DocumentationIdentifier: MM441622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441622 |
| SMILES |
CC=CC1NC1C=CCN
|
| InChIKey |
PUJKBAVAMHMFDZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217139
Similarity: 0.9815
Similarity to MM217139
| Tanimoto metric | 0.9815 |
|---|---|
| Cosine metric | 0.9907 |
| Dice metric | 0.9907 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448028
Similarity: 0.906
Similarity to MM448028
| Tanimoto metric | 0.906 |
|---|---|
| Cosine metric | 0.9511 |
| Dice metric | 0.9507 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124908
Similarity: 0.8333
Similarity to MM124908
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
