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DocumentationIdentifier: MM457072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457072 |
| SMILES |
C=CCOC=CC=CCO
|
| InChIKey |
BECMZERRDDACPU-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM215504
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Similarity to MM215504
| Tanimoto metric | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452486
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| Tanimoto metric | 0.8689 |
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| Cosine metric | 0.9304 |
| Dice metric | 0.9298 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215196
Similarity: 0.8644
Similarity to MM215196
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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