Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM77800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77800 |
| SMILES |
CCC(C)(C#N)C#CC#N
|
| InChIKey |
AOLGQUNMIVUMRK-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139776
Similarity: 0.8387
Similarity to MM139776
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311807
Similarity: 0.802
Similarity to MM311807
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8901 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201271
Similarity: 0.7527
Similarity to MM201271
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8589 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
