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DocumentationIdentifier: MM380786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380786 |
| SMILES |
CCCC(=NO)C(C)CC
|
| InChIKey |
QZDQCGKBUDQDRC-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 |
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MM180294
Similarity: 0.8214
Similarity to MM180294
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM394343
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Similarity to MM394343
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8795 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275545
Similarity: 0.7419
Similarity to MM275545
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8519 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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