Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM198922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198922 |
| SMILES |
C=CCCC(C#N)CO
|
| InChIKey |
GIJMUAUTXUAMBU-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404837
Similarity: 0.8372
Similarity to MM404837
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37522
Similarity: 0.75
Similarity to MM37522
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403248
Similarity: 0.6848
Similarity to MM403248
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8129 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
