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DocumentationIdentifier: MM337565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337565 |
| SMILES |
C=C(CCO)CC(O)CC
|
| InChIKey |
MSWRMJFFQAUKFW-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406987
Similarity: 0.8605
Similarity to MM406987
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378612
Similarity: 0.8182
Similarity to MM378612
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.9 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407493
Similarity: 0.7872
Similarity to MM407493
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.881 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
