Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM137536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137536 |
| SMILES |
CCC(C)(C)C(F)C#N
|
| InChIKey |
LQVRKKLUQCEHGX-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111545
Similarity: 0.7654
Similarity to MM111545
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132613
Similarity: 0.7473
Similarity to MM132613
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8553 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102572
Similarity: 0.6543
Similarity to MM102572
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.791 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
