Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM453583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453583 |
| SMILES |
C=CC#CCC=CNC=N
|
| InChIKey |
XHCDDBUJLUFYJK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215467
Similarity: 0.8824
Similarity to MM215467
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453500
Similarity: 0.8219
Similarity to MM453500
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.9023 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453623
Similarity: 0.7692
Similarity to MM453623
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8696 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
