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DocumentationIdentifier: MM442450
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442450 |
| SMILES |
C#CCN1CC1C#CC#N
|
| InChIKey |
PJQSDPMMLMXWGQ-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217342
Similarity: 0.8926
Similarity to MM217342
| Tanimoto metric | 0.8926 |
|---|---|
| Cosine metric | 0.9448 |
| Dice metric | 0.9433 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194961
Similarity: 0.8188
Similarity to MM194961
| Tanimoto metric | 0.8188 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442032
Similarity: 0.8012
Similarity to MM442032
| Tanimoto metric | 0.8012 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8896 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
