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DocumentationIdentifier: MM305470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305470 |
| SMILES |
C=CCC(OC=O)C(=C)F
|
| InChIKey |
XKHQDTUPRFXCPO-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108288
Similarity: 0.5612
Similarity to MM108288
| Tanimoto metric | 0.5612 |
|---|---|
| Cosine metric | 0.7491 |
| Dice metric | 0.7189 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306920
Similarity: 0.5463
Similarity to MM306920
| Tanimoto metric | 0.5463 |
|---|---|
| Cosine metric | 0.712 |
| Dice metric | 0.7066 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179898
Similarity: 0.4911
Similarity to MM179898
| Tanimoto metric | 0.4911 |
|---|---|
| Cosine metric | 0.6623 |
| Dice metric | 0.6587 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+5 more
