Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM243206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243206 |
| SMILES |
C=CCC(C)(C#N)NC=N
|
| InChIKey |
BSPZZDIMDKTWET-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63822
Similarity: 0.7323
Similarity to MM63822
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8455 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132408
Similarity: 0.622
Similarity to MM132408
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7887 |
| Dice metric | 0.767 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49893
Similarity: 0.6144
Similarity to MM49893
| Tanimoto metric | 0.6144 |
|---|---|
| Cosine metric | 0.7614 |
| Dice metric | 0.7611 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
