Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM71775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71775 |
| SMILES |
CNC(C)CCC#N
|
| InChIKey |
HVRNPFMBTRTREJ-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198637
Similarity: 0.7879
Similarity to MM198637
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198928
Similarity: 0.7324
Similarity to MM198928
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74306
Similarity: 0.7123
Similarity to MM74306
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
