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DocumentationIdentifier: MM410022
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410022 |
| SMILES |
CC=C(CF)CCOCC
|
| InChIKey |
PCLJIQWSSBMJBL-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199758
Similarity: 0.8571
Similarity to MM199758
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166366
Similarity: 0.7449
Similarity to MM166366
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411743
Similarity: 0.7119
Similarity to MM411743
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8317 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
