Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM386875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386875 |
| SMILES |
CCCC(C#N)CCC=O
|
| InChIKey |
BTARZAFIYNNBIG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198919
Similarity: 0.9231
Similarity to MM198919
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340814
Similarity: 0.7711
Similarity to MM340814
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.8707 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87811
Similarity: 0.7595
Similarity to MM87811
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8633 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
