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DocumentationIdentifier: MM242315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242315 |
| SMILES |
C=CC(C)(F)C(=O)CCC
|
| InChIKey |
ZIQZEZLCTJDLBD-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242367
Similarity: 0.7317
Similarity to MM242367
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8451 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225751
Similarity: 0.7273
Similarity to MM225751
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8421 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173245
Similarity: 0.6395
Similarity to MM173245
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
