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DocumentationIdentifier: MM97419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97419 |
| SMILES |
C=C(C)COC=O
|
| InChIKey |
VGHXIQMEYIMTRF-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36403
Similarity: 0.7818
Similarity to MM36403
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113877
Similarity: 0.7288
Similarity to MM113877
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113365
Similarity: 0.7049
Similarity to MM113365
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
