Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM320446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320446 |
| SMILES |
C#CC(N)CNC(C)=NC
|
| InChIKey |
IKQLWVRZXOGATD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144555
Similarity: 0.7699
Similarity to MM144555
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251784
Similarity: 0.685
Similarity to MM251784
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8131 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167348
Similarity: 0.6726
Similarity to MM167348
| Tanimoto metric | 0.6726 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8042 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
