Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM251198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251198 |
| SMILES |
C=CNC(=N)CCC(C)=O
|
| InChIKey |
VAAHSGNCCYKCCJ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156512
Similarity: 0.7544
Similarity to MM156512
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92211
Similarity: 0.6418
Similarity to MM92211
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7818 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356518
Similarity: 0.597
Similarity to MM356518
| Tanimoto metric | 0.597 |
|---|---|
| Cosine metric | 0.7493 |
| Dice metric | 0.7477 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
