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DocumentationIdentifier: MM404576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404576 |
| SMILES |
CC=CCCC(CC)CF
|
| InChIKey |
NVTBQYOIMXKXRZ-UHFFFAOYSA-N
|
| MW [Da] |
144.23
Automatically obtained from RDkit software. |
| LogP |
3.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367473
Similarity: 0.8082
Similarity to MM367473
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7808 |
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| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367475
Similarity: 0.6628
Similarity to MM367475
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7972 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
