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DocumentationIdentifier: MM98421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98421 |
| SMILES |
C=CC(C)C(C)C
|
| InChIKey |
WFHXQNMTMDKVJG-UHFFFAOYSA-N
|
| MW [Da] |
98.19
Automatically obtained from RDkit software. |
| LogP |
2.46
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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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.22 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116970
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Similarity to MM116970
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
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| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+679 more
