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DocumentationIdentifier: MM392403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392403 |
| SMILES |
CCC(COC=O)C(C)O
|
| InChIKey |
OCZHONQCEMMLGH-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47834
Similarity: 0.8211
Similarity to MM47834
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362180
Similarity: 0.75
Similarity to MM362180
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296707
Similarity: 0.7333
Similarity to MM296707
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8462 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
