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DocumentationIdentifier: MM114703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114703 |
| SMILES |
C=CCC=C(C)CC
|
| InChIKey |
DOGRYWZHOBYUMD-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370666
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| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171293
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| Tanimoto metric | 0.8667 |
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| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107865
Similarity: 0.8444
Similarity to MM107865
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9157 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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