Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM224707
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224707 |
| SMILES |
CC(C#N)CCC(C)(C)C
|
| InChIKey |
GJKDXFJILLMKAX-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
MM227842
Similarity: 0.8929
Similarity to MM227842
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144109
Similarity: 0.84
Similarity to MM144109
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239704
Similarity: 0.8276
Similarity to MM239704
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9057 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
