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DocumentationIdentifier: MM70021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70021 |
| SMILES |
CC(CCO)OC=CCO
|
| InChIKey |
BTLUGYGWSNFKGU-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168104
Similarity: 0.8333
Similarity to MM168104
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405774
Similarity: 0.7558
Similarity to MM405774
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8609 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70040
Similarity: 0.7419
Similarity to MM70040
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8519 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
