Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM179242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179242 |
| SMILES |
C=CCC(C#N)=CC#N
|
| InChIKey |
JHBSZSKCHWVCCF-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383388
Similarity: 0.8444
Similarity to MM383388
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116545
Similarity: 0.7895
Similarity to MM116545
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386302
Similarity: 0.7556
Similarity to MM386302
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8608 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
