Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM33059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33059 |
| SMILES |
CCN(CC#N)C(C)C#N
|
| InChIKey |
YPDUJTSUDRQDFP-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28635
Similarity: 0.9275
Similarity to MM28635
| Tanimoto metric | 0.9275 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9624 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33000
Similarity: 0.8116
Similarity to MM33000
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45519
Similarity: 0.7826
Similarity to MM45519
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
