Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM77677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77677 |
| SMILES |
NCCC(N)C#CC=CF
|
| InChIKey |
XQZXRVHELWIAJX-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170731
Similarity: 0.8352
Similarity to MM170731
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77521
Similarity: 0.8132
Similarity to MM77521
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282999
Similarity: 0.7451
Similarity to MM282999
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8539 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
