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DocumentationIdentifier: MM213144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213144 |
| SMILES |
C=CCCOCOC=C
|
| InChIKey |
UARMRBHKWDPSPW-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.7
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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| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM39183
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| Tanimoto metric | 0.7963 |
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| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 116.16 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125643
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|---|---|
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| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+592 more
