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DocumentationIdentifier: MM195323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195323 |
| SMILES |
COCCCC1CC1C
|
| InChIKey |
YJIPPWWDCNWPFB-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.07
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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MM418982
Similarity: 0.9012
Similarity to MM418982
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM418975
Similarity: 0.825
Similarity to MM418975
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.9041 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124650
Similarity: 0.8082
Similarity to MM124650
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+546 more
