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DocumentationIdentifier: MM266296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266296 |
| SMILES |
CC=C(C)CC(C)=CC=O
|
| InChIKey |
UXMLXVPCYLVSDQ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM159090
Similarity: 0.7949
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| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168974
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| Tanimoto metric | 0.7692 |
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| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273675
Similarity: 0.7374
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| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8488 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+650 more
