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DocumentationIdentifier: MM227840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227840 |
| SMILES |
C=CC(C)(C)CCC(C)C
|
| InChIKey |
IWVIFHFBNMTBNT-UHFFFAOYSA-N
|
| MW [Da] |
140.27
Automatically obtained from RDkit software. |
| LogP |
3.63
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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MM239698
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Similarity to MM239698
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9643 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138326
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| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224706
Similarity: 0.8929
Similarity to MM224706
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
