Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM53121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53121 |
| SMILES |
CCC(C#N)(C#N)C#N
|
| InChIKey |
VPWDUWQZOPKPQH-UHFFFAOYSA-N
|
| MW [Da] |
119.13
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35180
Similarity: 0.9091
Similarity to MM35180
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78190
Similarity: 0.7857
Similarity to MM78190
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139931
Similarity: 0.7455
Similarity to MM139931
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8542 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
