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DocumentationIdentifier: MM309409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309409 |
| SMILES |
C=CC(O)(C=C)CNC=O
|
| InChIKey |
HXCKKTQQYHGCGT-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138422
Similarity: 0.8704
Similarity to MM138422
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234111
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| Tanimoto metric | 0.6963 |
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| Cosine metric | 0.8223 |
| Dice metric | 0.821 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234112
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Similarity to MM234112
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8155 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+46 more
