Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94310 |
| SMILES |
C#CC(=C)C#CCNC=N
|
| InChIKey |
ZPCONBUWWPRONT-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94168
Similarity: 0.8452
Similarity to MM94168
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170717
Similarity: 0.8095
Similarity to MM170717
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283300
Similarity: 0.7556
Similarity to MM283300
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8608 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
