Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM337119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337119 |
| SMILES |
CCC(=CC(O)C#N)CO
|
| InChIKey |
WSZAJIPELKRFRL-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM247844
Similarity: 0.8115
Similarity to MM247844
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8959 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143455
Similarity: 0.7593
Similarity to MM143455
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143454
Similarity: 0.7407
Similarity to MM143454
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
