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DocumentationIdentifier: MM394343
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394343 |
| SMILES |
CCCCC(=NO)C(C)C
|
| InChIKey |
SYBMIVPIOCFGJT-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
2.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180294
Similarity: 0.8415
Similarity to MM180294
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380786
Similarity: 0.7849
Similarity to MM380786
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8795 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341761
Similarity: 0.7841
Similarity to MM341761
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.879 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
