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DocumentationIdentifier: MM446726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446726 |
| SMILES |
CNCCCCCCCF
|
| InChIKey |
QGBODLSTGWMWNV-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM212817
Similarity: 0.8519
Similarity to MM212817
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.92 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM286895
Similarity: 0.7937
Similarity to MM286895
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.885 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM212812
Similarity: 0.7692
Similarity to MM212812
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+691 more
