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DocumentationIdentifier: MM304410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304410 |
| SMILES |
CCC=CCC(=O)C(C)C
|
| InChIKey |
SYJMZVXDKRQGCC-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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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MM162922
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Similarity to MM162922
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168461
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| Tanimoto metric | 0.7639 |
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| Cosine metric | 0.874 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.32 |
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MM373115
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Similarity to MM373115
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8527 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
