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DocumentationIdentifier: MM300929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300929 |
| SMILES |
CCNCCC(C)C(C)F
|
| InChIKey |
VXFMRUPGZGPYKC-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
1.98
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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MM161950
Similarity: 0.8764
Similarity to MM161950
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392225
Similarity: 0.7879
Similarity to MM392225
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8814 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254530
Similarity: 0.7573
Similarity to MM254530
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8619 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
