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DocumentationIdentifier: MM328019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328019 |
| SMILES |
C=CC(C)CN(C=C)C=O
|
| InChIKey |
DQJCBHGQACIUJO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.41
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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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM199296
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| Tanimoto metric | 0.7404 |
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| Cosine metric | 0.8605 |
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| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.16 |
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|---|---|---|---|---|---|
| AI: | 0
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MM141842
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| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
