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DocumentationIdentifier: MM413386
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413386 |
| SMILES |
CC=C(C=O)CCOCC
|
| InChIKey |
FWNAHUZSEFPJEV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM414144
Similarity: 0.7748
Similarity to MM414144
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8731 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397463
Similarity: 0.7589
Similarity to MM397463
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8629 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166841
Similarity: 0.7449
Similarity to MM166841
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
