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DocumentationIdentifier: MM34863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34863 |
| SMILES |
CC(C)=C(C)OC=O
|
| InChIKey |
VEWCMLSMXJXIBO-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
1.47
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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MM98299
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| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM52848
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| Tanimoto metric | 0.6915 |
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| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM56527
Similarity: 0.6915
Similarity to MM56527
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
