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Documentation1,8-Decanediol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00011 |
| SMILES |
CCC(O)CCCCCCCO
|
| InChIKey |
GXNQEVBKQUQPGE-UHFFFAOYSA-N
|
| MW [Da] |
174.28
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
17914602
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
1,7-Decanediol
Similarity: 1
Similarity to 1,7-Decanediol
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 174.28 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
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| LogP: | 2.09 |
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| AI: | 0
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| Tanimoto metric | 0.9565 |
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| Cosine metric | 0.978 |
| Dice metric | 0.9778 |
| MW: | 174.28 |
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|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
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| LogP: | 2.09 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM398912
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| Tanimoto metric | 0.9545 |
|---|---|
| Cosine metric | 0.977 |
| Dice metric | 0.9767 |
| MW: | 130.23 |
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|---|---|---|---|---|---|
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| LogP: | 2.34 |
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