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DocumentationIdentifier: MM375416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375416 |
| SMILES |
CC=C(C)OC=CNC=O
|
| InChIKey |
HMXUIQFMFZAQRB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.14
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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MM153767
Similarity: 0.7753
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| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6517 |
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| Cosine metric | 0.8073 |
| Dice metric | 0.7891 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373784
Similarity: 0.6481
Similarity to MM373784
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7865 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
