Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM55700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55700 |
| SMILES |
CCC(C#N)=CCC#N
|
| InChIKey |
GZRANNGIWQKIBF-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51945
Similarity: 0.8243
Similarity to MM51945
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9037 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116787
Similarity: 0.8209
Similarity to MM116787
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386076
Similarity: 0.8072
Similarity to MM386076
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+657 more
