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DocumentationIdentifier: MM367120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367120 |
| SMILES |
CC=C(F)C=COCCC
|
| InChIKey |
HBLBXXFDSZSTQW-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170332
Similarity: 0.8556
Similarity to MM170332
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367122
Similarity: 0.7549
Similarity to MM367122
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8603 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367247
Similarity: 0.7264
Similarity to MM367247
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8415 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
