Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM166852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166852 |
| SMILES |
C=CC(=O)COCCC
|
| InChIKey |
JWPUPEHPQMROKM-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365771
Similarity: 0.9701
Similarity to MM365771
| Tanimoto metric | 0.9701 |
|---|---|
| Cosine metric | 0.985 |
| Dice metric | 0.9848 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113318
Similarity: 0.8769
Similarity to MM113318
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48727
Similarity: 0.831
Similarity to MM48727
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9077 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
