Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM215642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215642 |
| SMILES |
C=CN=CNC=CC#N
|
| InChIKey |
YHMKUAVHRURWTO-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70468
Similarity: 0.8596
Similarity to MM70468
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214497
Similarity: 0.7101
Similarity to MM214497
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8305 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93788
Similarity: 0.6842
Similarity to MM93788
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 95.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
