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DocumentationIdentifier: MM318613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318613 |
| SMILES |
C=CC(CNC=O)C(C)C
|
| InChIKey |
USLYAFWVTWOUFF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.19
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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MM316531
Similarity: 0.828
Similarity to MM316531
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306755
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8667 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386891
Similarity: 0.7315
Similarity to MM386891
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8449 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
