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DocumentationIdentifier: MM173148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173148 |
| SMILES |
C=C(OC=O)C(C)CO
|
| InChIKey |
YSWPTFRXCOUSTP-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108428
Similarity: 0.7191
Similarity to MM108428
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33944
Similarity: 0.6854
Similarity to MM33944
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173440
Similarity: 0.6273
Similarity to MM173440
| Tanimoto metric | 0.6273 |
|---|---|
| Cosine metric | 0.771 |
| Dice metric | 0.7709 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
