Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM100923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100923 |
| SMILES |
C=CCC=CC#N
|
| InChIKey |
DBAGCDZGOWEZHW-UHFFFAOYSA-N
|
| MW [Da] |
93.13
Automatically obtained from RDkit software. |
| LogP |
1.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126322
Similarity: 0.8824
Similarity to MM126322
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56487
Similarity: 0.8824
Similarity to MM56487
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25309
Similarity: 0.8
Similarity to MM25309
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 81.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
