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DocumentationIdentifier: MM300982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300982 |
| SMILES |
C=CCC(C)C(C)=C(C)C
|
| InChIKey |
IDHCFDAXENSHOS-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
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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MM161510
Similarity: 0.766
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| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299989
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| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8324 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.78 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353048
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Similarity to MM353048
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8229 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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