Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM89607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89607 |
| SMILES |
C=CC=C(CNC)NC=N
|
| InChIKey |
PHNDCQVNBGMLTJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383123
Similarity: 0.6899
Similarity to MM383123
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8165 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386836
Similarity: 0.6718
Similarity to MM386836
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8037 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76856
Similarity: 0.6214
Similarity to MM76856
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7665 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
