Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM162249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162249 |
| SMILES |
C=C(F)C(C)CCC#N
|
| InChIKey |
CITPPYOTZGVNOE-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
2.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245368
Similarity: 0.8137
Similarity to MM245368
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108160
Similarity: 0.747
Similarity to MM108160
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144411
Similarity: 0.6702
Similarity to MM144411
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8025 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
