Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM439534
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439534 |
| SMILES |
CCCCC(O)C(C)C
|
| InChIKey |
QGVFLDUEHSIZIG-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM444639
Similarity: 0.8302
Similarity to MM444639
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 116.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393118
Similarity: 0.807
Similarity to MM393118
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8932 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254480
Similarity: 0.791
Similarity to MM254480
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
