Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM47731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47731 |
| SMILES |
C#CC(C=O)C(N)=NCC
|
| InChIKey |
VJPIIYBGUMZPCK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197555
Similarity: 0.8209
Similarity to MM197555
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96182
Similarity: 0.7015
Similarity to MM96182
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61969
Similarity: 0.6766
Similarity to MM61969
| Tanimoto metric | 0.6766 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8071 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
