Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM02197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02197 |
| SMILES |
CC(F)C(=O)CC#N
|
| InChIKey |
YHFKXJFJJPXHNU-UHFFFAOYSA-N
|
| MW [Da] |
115.11
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111915
Similarity: 0.7349
Similarity to MM111915
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8472 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16582
Similarity: 0.7263
Similarity to MM16582
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173069
Similarity: 0.7113
Similarity to MM173069
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
