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DocumentationIdentifier: MM390218
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390218 |
| SMILES |
C=CCCC(=CF)CC=O
|
| InChIKey |
LLWRIWSCXRTOKD-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178524
Similarity: 0.8295
Similarity to MM178524
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390220
Similarity: 0.7604
Similarity to MM390220
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8639 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278811
Similarity: 0.7553
Similarity to MM278811
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8606 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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