Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM95056
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95056 |
| SMILES |
C=C(CN)NC=NC
|
| InChIKey |
XDNFJOAHESGQSQ-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373308
Similarity: 0.7821
Similarity to MM373308
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98082
Similarity: 0.7705
Similarity to MM98082
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 99.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85717
Similarity: 0.7093
Similarity to MM85717
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
