Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM153871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153871 |
| SMILES |
CC#CC=CCC(=N)N
|
| InChIKey |
XFAWKTPWHAFWPI-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288983
Similarity: 0.9342
Similarity to MM288983
| Tanimoto metric | 0.9342 |
|---|---|
| Cosine metric | 0.9665 |
| Dice metric | 0.966 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288962
Similarity: 0.9103
Similarity to MM288962
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289002
Similarity: 0.8765
Similarity to MM289002
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
