Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM226312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226312 |
| SMILES |
CCC(C)CC(C)(C)C#N
|
| InChIKey |
IURPAGKXROIHJY-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226111
Similarity: 0.8028
Similarity to MM226111
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.8907 |
| Dice metric | 0.8906 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138331
Similarity: 0.8
Similarity to MM138331
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229011
Similarity: 0.7867
Similarity to MM229011
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8806 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
