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DocumentationIdentifier: MM236952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236952 |
| SMILES |
C=C(C)OC(=O)CCNC
|
| InChIKey |
WOVBRJKFBCFXIC-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.67
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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MM64622
Similarity: 0.8348
Similarity to MM64622
| Tanimoto metric | 0.8348 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM70329
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Similarity to MM70329
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263269
Similarity: 0.7059
Similarity to MM263269
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8276 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
