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DocumentationIdentifier: MM404742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404742 |
| SMILES |
C=CC(=COC=CF)CC
|
| InChIKey |
VPUCHLZTMYDCMW-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201768
Similarity: 0.8046
Similarity to MM201768
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171372
Similarity: 0.7356
Similarity to MM171372
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171324
Similarity: 0.7126
Similarity to MM171324
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8322 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
