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DocumentationIdentifier: MM168740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168740 |
| SMILES |
C=CC(=C)CC=CCC
|
| InChIKey |
HDZSJDJMMFSVQY-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
3.08
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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MM373928
Similarity: 0.963
Similarity to MM373928
| Tanimoto metric | 0.963 |
|---|---|
| Cosine metric | 0.9813 |
| Dice metric | 0.9811 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113703
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| Tanimoto metric | 0.8846 |
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| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280669
Similarity: 0.8667
Similarity to MM280669
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
