Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM178253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178253 |
| SMILES |
C=CC(C=CF)CC#N
|
| InChIKey |
VWIJJSMANWHCSI-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107540
Similarity: 0.7941
Similarity to MM107540
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 113.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116275
Similarity: 0.7059
Similarity to MM116275
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178170
Similarity: 0.679
Similarity to MM178170
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8088 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
