Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM53315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53315 |
| SMILES |
C=CN(C=O)C(C)C#N
|
| InChIKey |
PAGDGLLLOAOFTP-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400867
Similarity: 0.6884
Similarity to MM400867
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400783
Similarity: 0.6884
Similarity to MM400783
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400887
Similarity: 0.6786
Similarity to MM400887
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8085 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
