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DocumentationIdentifier: MM279254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279254 |
| SMILES |
CC=CC(=O)COCCO
|
| InChIKey |
DFTVXTNKRZZJBX-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166853
Similarity: 0.7978
Similarity to MM166853
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279331
Similarity: 0.7917
Similarity to MM279331
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8837 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279253
Similarity: 0.7732
Similarity to MM279253
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8721 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
