Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM55112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55112 |
| SMILES |
C#CC(C#CC=O)NC=N
|
| InChIKey |
OMLABJAAVPSUTM-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55134
Similarity: 0.7579
Similarity to MM55134
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66455
Similarity: 0.7091
Similarity to MM66455
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8298 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380239
Similarity: 0.6577
Similarity to MM380239
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7935 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
