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DocumentationIdentifier: MM15506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15506 |
| SMILES |
C=C(C)C(C)C(=O)CC=O
|
| InChIKey |
UVSXUBIIDBJQCL-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
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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MM160491
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| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297758
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| Tanimoto metric | 0.6972 |
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| Cosine metric | 0.8222 |
| Dice metric | 0.8216 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254040
Similarity: 0.6972
Similarity to MM254040
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8216 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
