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DocumentationIdentifier: MM279751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279751 |
| SMILES |
CC(CCO)OC=CCN
|
| InChIKey |
GXKQIQQIFBFGBM-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168103
Similarity: 0.8193
Similarity to MM168103
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405772
Similarity: 0.7473
Similarity to MM405772
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8553 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70021
Similarity: 0.7312
Similarity to MM70021
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8447 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+540 more
