Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM61192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61192 |
| SMILES |
C#CC(C#C)C(=N)NC=C
|
| InChIKey |
POAIICWBPBOVCX-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173555
Similarity: 0.8981
Similarity to MM173555
| Tanimoto metric | 0.8981 |
|---|---|
| Cosine metric | 0.9477 |
| Dice metric | 0.9463 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71877
Similarity: 0.7685
Similarity to MM71877
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8691 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353830
Similarity: 0.7462
Similarity to MM353830
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8546 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
