Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM424640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424640 |
| SMILES |
CNC(C#N)C=CCC#N
|
| InChIKey |
KASGYJPXBRHRRS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM424006
Similarity: 0.7921
Similarity to MM424006
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.884 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343473
Similarity: 0.7767
Similarity to MM343473
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8743 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76211
Similarity: 0.7727
Similarity to MM76211
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
