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DocumentationIdentifier: MM84460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84460 |
| SMILES |
COC(C)C(O)CCC=O
|
| InChIKey |
ZJMKMJNBAVYCSY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392371
Similarity: 0.8103
Similarity to MM392371
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8952 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361881
Similarity: 0.6555
Similarity to MM361881
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7919 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69310
Similarity: 0.625
Similarity to MM69310
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7772 |
| Dice metric | 0.7692 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+360 more
