Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM133441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133441 |
| SMILES |
N=C(N)C#CC=C(F)F
|
| InChIKey |
CXHUKEJMMVEXBB-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77452
Similarity: 0.8108
Similarity to MM77452
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260766
Similarity: 0.7708
Similarity to MM260766
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106660
Similarity: 0.6622
Similarity to MM106660
| Tanimoto metric | 0.6622 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.7967 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
