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DocumentationIdentifier: MM70471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70471 |
| SMILES |
C#CCNC(C=CN)=NC
|
| InChIKey |
VCPKOIHMMMJUMY-UHFFFAOYSA-N
|
| MW [Da] |
137.19
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
MM200203
Similarity: 0.7826
Similarity to MM200203
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94109
Similarity: 0.7217
Similarity to MM94109
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417884
Similarity: 0.687
Similarity to MM417884
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8145 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
