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DocumentationIdentifier: MM280378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280378 |
| SMILES |
C=CCC(=O)OC=CCC
|
| InChIKey |
HULSVVLAJXVBPV-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM168582
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373780
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.88 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373442
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.88 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+510 more
