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Documentation1,3-Decanediol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00005 |
| SMILES |
CCCCCCCC(O)CCO
|
| InChIKey |
ANWMPOLHSRXCNH-UHFFFAOYSA-N
|
| MW [Da] |
174.28
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
201483
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261182
Similarity: 0.8929
Similarity to MM261182
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.9434 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135059
Similarity: 0.8571
Similarity to MM135059
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9231 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
1,7-Decanediol
Similarity: 0.8462
Similarity to 1,7-Decanediol
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 174.28 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
