Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM83208
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83208 |
| SMILES |
C=C(CCCO)OCC#N
|
| InChIKey |
HFBWJNCWIZEZHS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156321
Similarity: 0.8851
Similarity to MM156321
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83293
Similarity: 0.7624
Similarity to MM83293
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355741
Similarity: 0.7
Similarity to MM355741
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8235 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+624 more
