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DocumentationIdentifier: MM90479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90479 |
| SMILES |
CCC(F)C(=O)C#CCO
|
| InChIKey |
PEGQUBGCALCJOI-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163668
Similarity: 0.792
Similarity to MM163668
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358756
Similarity: 0.75
Similarity to MM358756
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8571 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358851
Similarity: 0.7183
Similarity to MM358851
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8361 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
