Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM425992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425992 |
| SMILES |
C=CCC=CC(C#N)C=C
|
| InChIKey |
IKBQVPULFUSRBR-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200772
Similarity: 0.9231
Similarity to MM200772
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426014
Similarity: 0.8986
Similarity to MM426014
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9466 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343596
Similarity: 0.8986
Similarity to MM343596
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9466 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
