Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM161841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161841 |
| SMILES |
CC(=O)C(C)=C(C)C#N
|
| InChIKey |
SMGQYTZYDJJFBP-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354758
Similarity: 0.7717
Similarity to MM354758
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108907
Similarity: 0.7347
Similarity to MM108907
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354762
Similarity: 0.7153
Similarity to MM354762
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.834 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
